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root/freemol/trunk/smi23d/src/mengine/mmff94.h
Revision: 26
Committed: Tue Jul 8 17:17:48 2008 UTC (11 years, 4 months ago) by tjod
File size: 334972 byte(s)
Log Message:
header files containg all the data from
mmff94.prm and mmxconst.prm

Line File contents
1 char *mmff94[] = {
2 /*
3
4 ##############################
5 ## ##
6 ## Force Field Definition ##
7 ## ##
8 ##############################
9
10 */
11 "forcefield MMFF94",
12 //
13 "bondunit 71.9663",
14 "bond-cubic -2.0",
15 "bond-quartic 2.333333 !! (7/12) * bond-cubic^2",
16 "angleunit 0.021922",
17 "angle-cubic -0.007",
18 "str-bndunit 2.51210",
19 "torsionunit 0.5",
20 "vdwtype BUFFERED-14-7",
21 "radiusrule CUBIC-MEAN",
22 "radiustype R-MIN",
23 "radiussize DIAMETER",
24 "epsrule HHG",
25 "vdw-14-scale 1.0",
26 "chg-14-scale 0.75",
27 "dielectric 1.0",
28 /*
29
30
31 #############################
32 ## ##
33 ## Literature References ##
34 ## ##
35 #############################
36
37
38 T. A. Halgren, "Representation of van der Waals (vdW) Interactions in
39 Molecular Mechanics Force Fields: Potential Form, Combination Rules,
40 and vdW Parameters", JACS, 114, 7827-7843 (1992)
41
42
43 #############################
44 ## ##
45 ## Atom Type Definitions ##
46 ## ##
47 #############################
48
49 */
50 "atom 1 C \"Alkyl Carbon\" 6 12.000 4 4 1 1",
51 "atom 2 C \"Olefinic Carbon\" 6 12.000 3 4 2 1",
52 "atom 3 C \"Carbonyl Carbon\" 6 12.000 3 4 3 1",
53 "atom 4 C \"Acetylenic Carbon\" 6 12.000 2 4 4 1",
54 "atom 5 H \"Nonpolar Hydrogen\" 1 1.008 1 1 5 5",
55 "atom 6 O \"Divalent Oxygen\" 8 15.995 2 2 6 6",
56 "atom 7 O \"Carbonyl Oxygen\" 8 15.995 1 2 7 6",
57 "atom 8 N \"Amine Nitrogen\" 7 14.003 3 3 8 8",
58 "atom 9 N \"Imine Nitrogen\" 7 14.003 2 3 9 8",
59 "atom 10 N \"Amide Nitrogen\" 7 14.003 3 3 10 8",
60 "atom 11 F \"Fluorine\" 9 18.998 1 1 11 12",
61 "atom 12 Cl \"Chlorine\" 17 34.969 1 1 12 12",
62 "atom 13 Br \"Bromine\" 35 78.918 1 1 13 12",
63 "atom 14 I \"Iodine\" 53 126.900 1 1 14 12",
64 "atom 15 S \"Sulfide -S-\" 16 31.972 2 2 15 15",
65 "atom 16 S \"Thiocarbonyl S=C\" 16 31.972 1 2 16 15",
66 "atom 17 S \"Sulfoxide Sulfur\" 16 31.972 3 6 17 15",
67 "atom 18 S \"Sulfone, Sulfate\" 16 31.972 4 6 18 15",
68 "atom 19 Si \"Silicon\" 14 27.977 4 4 19 19",
69 "atom 20 C \"Csp3 in 4-Ring\" 6 12.000 4 4 20 1",
70 "atom 21 H \"Hydroxyl Hydrogen\" 1 1.008 1 1 21 5",
71 "atom 22 C \"Csp3 in 3-Ring\" 6 12.000 4 4 22 1",
72 "atom 23 H \"Amine Hydrogen\" 1 1.008 1 1 23 5",
73 "atom 24 H \"Carboxyl Hydrogen\" 1 1.008 1 1 24 5",
74 "atom 25 P \"Phosphate\" 15 30.994 4 4 25 25",
75 "atom 26 P \"Phosphine\" 15 30.994 3 3 26 25",
76 "atom 27 H \"Imine Hydrogen\" 1 1.008 1 1 27 5",
77 "atom 28 H \"Amide Hydrogen\" 1 1.008 1 1 28 5",
78 "atom 29 H \"Phenolic Hydrogen\" 1 1.008 1 1 29 5",
79 "atom 30 C \"Csp2 in 4-Ring\" 6 12.000 3 4 2 1",
80 "atom 31 H \"Water Hydrogen\" 1 1.008 1 1 31 31",
81 "atom 32 O- \"Carboxylate Oxygen\" 8 15.995 1 2 7 6",
82 "atom 33 H \"Sulfoxy Hydrogen\" 1 1.008 1 1 21 5",
83 "atom 34 N+ \"Quaternary Nitrogen\" 7 14.003 4 3 8 8",
84 "atom 35 O- \"Oxide at Metal\" 8 15.995 1 2 6 6",
85 "atom 36 H \"Hydrogen on N+\" 1 1.008 1 1 36 5",
86 "atom 37 C \"Aromatic Carbon\" 6 12.000 3 4 2 1",
87 "atom 38 N \"Pyridine Nitrogen\" 7 14.003 2 3 9 8",
88 "atom 39 N \"Pyrrole Nitrogen\" 7 14.003 3 3 10 8",
89 "atom 40 N \"N-C=C or N-C=N\" 7 14.003 3 3 10 8",
90 "atom 41 C \"Carboxylate Carbon\" 6 12.000 3 4 3 1",
91 "atom 42 N \"Nitrile Nitrogen\" 7 14.003 1 3 42 8",
92 "atom 43 N \"Sulfonamide Nitrogen\" 7 14.003 3 3 10 8",
93 "atom 44 S \"Thiophene Sulfur\" 16 31.972 2 2 16 15",
94 "atom 45 N \"Nitro Nitrogen\" 7 14.003 3 4 10 8",
95 "atom 46 N \"Nitroso Nitrogen\" 7 14.003 2 3 9 8",
96 "atom 47 O \"Nitroso Oxygen\" 8 15.995 1 2 42 8",
97 "atom 48 O \"Nitro Oxygen\" 8 15.995 1 2 9 8",
98 "atom 49 O+ \"Oxonium Oxygen\" 8 15.995 3 2 6 6",
99 "atom 50 H \"Hydrogen on O+\" 1 1.008 1 1 21 5",
100 "atom 51 O+ \"Oxenium Oxygen O=+\" 8 15.995 2 2 7 6",
101 "atom 52 H \"Hydrogen on O=+\" 1 1.008 1 1 21 5",
102 "atom 53 N+ \"Central Nitrogen CNN\" 7 14.003 2 4 42 8",
103 "atom 54 N+ \"Iminium Nitrogen\" 7 14.003 3 3 9 8",
104 "atom 55 N+ \"N+=C-N Nitrogen\" 7 14.003 3 3 10 8",
105 "atom 56 N+ \"Guanidinium Nitrogen\" 7 14.003 3 3 10 8",
106 "atom 57 C \"Guanidinium Carbon\" 6 12.000 3 4 2 1",
107 "atom 58 N+ \"Pyridinium Nitrogen\" 7 14.003 3 3 10 8",
108 "atom 59 O \"Furan Oxygen\" 8 15.995 2 2 6 6",
109 "atom 60 C \"Isonitrile Carbon\" 6 12.000 1 4 4 1",
110 "atom 61 N \"Isonitrile Nitrogen\" 7 14.003 2 3 42 8",
111 "atom 62 N- \"Sulfonamide Anion N\" 7 14.003 2 3 10 8",
112 "atom 63 C \"5-Arom Alpha N,O,S\" 6 12.000 3 4 2 1",
113 "atom 64 C \"5-Arom Beta N,O,S\" 6 12.000 3 4 2 1",
114 "atom 65 N \"5-Arom Alpha N,O,S\" 7 14.003 2 3 9 8",
115 "atom 66 N \"5-Arom Beta N,O,S\" 7 14.003 2 3 9 8",
116 "atom 67 N \"N-Oxide sp2 Nitrogen\" 7 14.003 3 4 9 8",
117 "atom 68 N \"N-Oxide sp3 Nitrogen\" 7 14.003 4 4 8 8",
118 "atom 69 N \"Pyridinium N-Oxide\" 7 14.003 3 4 9 8",
119 "atom 70 O \"Oxygen in Water\" 8 15.995 2 2 70 70",
120 "atom 71 H \"Hydrogen on Sulfur\" 1 1.008 1 1 5 5",
121 "atom 72 S \"Terminal Sulfur\" 16 31.972 1 2 16 15",
122 "atom 73 S \"SO2M\" 16 31.972 2 6 18 15",
123 "atom 74 S \"Sulfinyl S\" 16 31.972 2 2 17 15",
124 "atom 75 P \"P=C\" 15 30.994 3 3 26 25",
125 "atom 76 N \"Negatively Charge N\" 7 14.003 3 3 9 8",
126 "atom 77 Cl \"Chlorine Perchlorate\" 17 34.969 1 4 12 12",
127 "atom 78 C \"Carbon in 5 Ring Het\" 6 12.000 3 4 2 1",
128 "atom 79 N \"Nitrogen 5 Ring Het\" 7 14.003 2 3 9 8",
129 "atom 80 C \"Imidazolium Ion\" 6 12.000 3 4 2 1",
130 "atom 81 N \"Positively Charge N\" 7 14.003 3 3 10 8",
131 "atom 82 N \"N-Oxide N in 5 Ring\" 7 14.003 3 3 9 8",
132 "atom 87 Fe \"Iron +2 Cation\" 26 55.84 8 0 87 87",
133 "atom 88 Fe \"Iron +3 Cation\" 26 55.840 8 0 88 88",
134 "atom 89 F \"Fluoride Anion\" 9 18.998 0 1 89 89",
135 "atom 90 Cl \"Chloride Anion\" 17 18.998 0 1 90 90 90",
136 "atom 91 Br \"Bromide Anion\" 35 18.998 0 1 91 91 91",
137 "atom 92 Li \"Lithium Cation\" 3 6.941 0 1 92 92 92",
138 "atom 93 Na \"Sodium Cation\" 11 22.989 0 1 93 93 93",
139 "atom 94 K \"Potassium Cation\" 19 39.098 0 1 94 94 94",
140 "atom 95 Zn \"Zinc +2 \" 30 65.380 0 1 95 95 95",
141 "atom 96 Ca \"Calcium +2 \" 20 40.080 0 1 96 96 96",
142 "atom 97 Cu \"Copper +1 \" 29 63.540 0 1 97 97 97",
143 "atom 98 Cu \"Copper +2\" 29 63.540 0 1 98 98 98",
144 "atom 99 Mg \"Magnesium\" 12 24.305 0 1 99 99 99",
145 "atom 100 O \"N-oxide oxygen\" 8 15.995 1 1 100 100 100",
146 "atom 101 O \"phosphine oxide O\" 8 15.995 1 1 101 101 101",
147 //
148 // pos metal atoms
149 "atom 301 Li Lithium 3 6.941 10 0 301",
150 "atom 302 Be Berylium 4 9.0121 10 0 302",
151 "atom 303 Na Sodium 11 22.989 10 0 303",
152 "atom 304 Mg Magnesium 12 24.305 10 0 304",
153 "atom 305 K Potassium 19 39.098 10 0 305",
154 "atom 306 Ca Calcium 20 40.080 10 0 306",
155 "atom 307 Sc Scandium 21 44.956 10 0 307",
156 "atom 308 Ti Titanium 22 47.900 10 0 308",
157 "atom 309 V Vanadium 23 50.941 10 0 309",
158 "atom 310 Cr Chromium 24 51.996 10 0 310",
159 "atom 311 Mn Manganese 25 54.938 10 0 311",
160 "atom 312 Fe Iron 26 55.84 10 0 312",
161 "atom 313 Co Cobalt 27 58.93 10 0 313",
162 "atom 314 Ni Nickel 28 58.7 10 0 314",
163 "atom 315 Cu Copper 29 63.54 10 0 315",
164 "atom 316 Zn Zinc 30 65.38 10 0 316",
165 "atom 317 Ga Galium 31 69.72 10 0 317",
166 "atom 318 Ge Germanium 32 72.5 10 0 318",
167 "atom 319 As Arsenic 33 74.92 10 0 319",
168 "atom 320 Rb Rubidium 37 85.46 10 0 320",
169 "atom 321 Sr Strontium 38 87.62 10 0 321",
170 "atom 322 Y Ytrium 39 88.9 10 0 322",
171 "atom 323 Zr Zirconium 40 91.22 10 0 323",
172 "atom 324 Nb Niobium 41 92.90 10 0 324",
173 "atom 325 Mo Molybdenum 42 95.9 10 0 325",
174 "atom 326 Tc Technetium 43 98.90 10 0 326",
175 "atom 327 Ru Ruthenium 44 101.0 10 0 327",
176 "atom 328 Rh Rhodium 45 102.9 10 0 328",
177 "atom 329 Pd Palladium 46 106.4 10 0 329",
178 "atom 330 Ag Silver 47 107.87 10 0 330",
179 "atom 331 Cd Cadmium 48 112.4 10 0 331",
180 "atom 332 In Indium 49 114.82 10 0 332",
181 "atom 333 Sn Tin 50 118.6 10 0 333",
182 "atom 334 Sb Antimony 51 121.7 10 0 334",
183 "atom 335 Te Tellurium 52 127.6 10 0 335",
184 "atom 336 Cs Cesium 55 132.9 10 0 336",
185 "atom 337 Ba Barium 56 137.3 10 0 337",
186 "atom 338 La Lanthanum 57 138.9 10 0 338",
187 "atom 339 Ce Cerium 58 140.12 10 0 339",
188 "atom 340 Pr Prasedodymium 59 140.91 10 0 340",
189 "atom 341 Nd Neodymium 60 144.24 10 0 341",
190 "atom 342 Pm Promethium 61 147.0 10 0 342",
191 "atom 343 Sm Samarium 62 150.35 10 0 343",
192 "atom 344 Eu Europium 63 151.36 10 0 344",
193 "atom 345 Gd Gadolinium 64 157.25 10 0 345",
194 "atom 346 Tb Terbium 65 158.92 10 0 346",
195 "atom 347 Dy Dysprosium 66 162.50 10 0 347",
196 "atom 348 Ho Holmium 67 164.93 10 0 348",
197 "atom 349 Er Erbium 68 167.26 10 0 349",
198 "atom 350 Tm Thulium 69 168.93 10 0 350",
199 "atom 351 Yb Ytterbium 70 173.04 10 0 351",
200 "atom 352 Lu Lutetium 71 174.97 10 0 352",
201 "atom 353 Hf Hafnium 72 178.4 10 0 353",
202 "atom 354 Ta Tantalum 73 180.95 10 0 354",
203 "atom 355 W Tungstun 74 183.8 10 0 355",
204 "atom 356 Re Rhenium 75 186.2 10 0 356",
205 "atom 357 Os Osmium 76 190.2 10 0 357",
206 "atom 358 Ir Iridium 77 192.2 10 0 358",
207 "atom 359 Pt Platinum 78 195.0 10 0 359",
208 "atom 360 Au Gold 79 196.97 10 0 360",
209 "atom 361 Hg Mercury 80 200.5 10 0 361",
210 "atom 362 Tl Thallium 81 204.3 10 0 362",
211 "atom 363 Pb Lead 82 207.2 10 0 363",
212 "atom 364 Bi Bismuth 83 208.98 10 0 364",
213 "atom 365 Po Polonium 84 210.0 10 0 365",
214 "atom 366 At Astatine 85 210.0 10 0 366",
215 "atom 367 Fr Francium 87 223.0 10 0 367",
216 "atom 368 Ra Radium 88 226.0 10 0 368",
217 "atom 369 Ac Actinium 89 227.0 10 0 369",
218 "atom 370 Th Thorium 90 232.04 10 0 370",
219 "atom 371 Pa Protactinium 91 231.0 10 0 371",
220 "atom 372 U Uranium 92 238.03 10 0 372",
221 "atom 373 Np Neptunium 93 237.0 10 0 373",
222 "atom 374 Pu Plutonium 94 242.0 10 0 374",
223 "atom 375 Am Americium 95 243.0 10 0 375",
224 "atom 376 Cm Curium 96 247.0 10 0 376",
225 "atom 377 Bk Berkelium 97 249.0 10 0 377",
226 "atom 378 Cf Californium 98 251.0 10 0 378",
227 "atom 379 Es Einsteinium 99 254.0 10 0 379",
228 "atom 380 Fm Fermium 100 253.0 10 0 380",
229 "atom 381 Md Mendelevium 101 256.0 10 0 381",
230 "atom 382 No Nobelium 102 253.0 10 0 382",
231 //
232 /*
233 ################################
234 ## ##
235 ## Van der Waals Parameters ##
236 ## ##
237 ################################
238 */
239 //
240 //
241 /*
242 *13. MMFFVDW.PAR: This file supplies parameters for van der Waals interactions.
243 *
244 * Copyright (c) Merck and Co., Inc., 1994, 1995, 1996
245 * All Rights Reserved
246 *
247 * E94 - From empirical rule (JACS 1992, 114, 7827)
248 * C94 - Adjusted in fit to HF/6-31G* dimer energies and geometries
249 * X94 - Chosen in the extension of the paratererization for MMFF94
250 * by analogy to other, similar atom types or, for ions, by
251 * fitting to atomic radii (and sometimes to association energies
252 * for hydrates)
253 *
254 * power B Beta DARAD DAEPS
255 0.25 0.2 12. 0.8 0.5
256 *
257 * type alpha-i N-i A-i G-i DA
258 *------------------------------------------------------------
259 */
260 "vdwmmff 1 1.0500 2.4900 3.8900 1.2820 - ",
261 "vdwmmff 2 1.3500 2.4900 3.8900 1.2820 - ",
262 "vdwmmff 3 1.1000 2.4900 3.8900 1.2820 - ",
263 "vdwmmff 4 1.3000 2.4900 3.8900 1.2820 - ",
264 "vdwmmff 5 0.2500 0.8000 4.2000 1.2090 - ",
265 "vdwmmff 6 0.7000 3.1500 3.8900 1.2820 A ",
266 "vdwmmff 7 0.6500 3.1500 3.8900 1.2820 A ",
267 "vdwmmff 8 1.1500 2.8200 3.8900 1.2820 A ",
268 "vdwmmff 9 0.9000 2.8200 3.8900 1.2820 A ",
269 "vdwmmff 10 1.0000 2.8200 3.8900 1.2820 A ",
270 "vdwmmff 11 0.3500 3.4800 3.8900 1.2820 A ",
271 "vdwmmff 12 2.3000 5.1000 3.3200 1.3450 A ",
272 "vdwmmff 13 3.4000 6.0000 3.1900 1.3590 A ",
273 "vdwmmff 14 5.5000 6.9500 3.0800 1.4040 A ",
274 "vdwmmff 15 3.0000 4.8000 3.3200 1.3450 A ",
275 "vdwmmff 16 3.9000 4.8000 3.3200 1.3450 A ",
276 "vdwmmff 17 2.7000 4.8000 3.3200 1.3450 - ",
277 "vdwmmff 18 2.1000 4.8000 3.3200 1.3450 - ",
278 "vdwmmff 19 4.5000 4.2000 3.3200 1.3450 - ",
279 "vdwmmff 20 1.0500 2.4900 3.8900 1.2820 - ",
280 "vdwmmff 21 0.1500 0.8000 4.2000 1.2090 D ",
281 "vdwmmff 22 1.1000 2.4900 3.8900 1.2820 - ",
282 "vdwmmff 23 0.1500 0.8000 4.2000 1.2090 D ",
283 "vdwmmff 24 0.1500 0.8000 4.2000 1.2090 D ",
284 "vdwmmff 25 1.6000 4.5000 3.3200 1.3450 - ",
285 "vdwmmff 26 3.6000 4.5000 3.3200 1.3450 A ",
286 "vdwmmff 27 0.1500 0.8000 4.2000 1.2090 D ",
287 "vdwmmff 28 0.1500 0.8000 4.2000 1.2090 D ",
288 "vdwmmff 29 0.1500 0.8000 4.2000 1.2090 D ",
289 "vdwmmff 30 1.3500 2.4900 3.8900 1.2820 - ",
290 "vdwmmff 31 0.1500 0.8000 4.2000 1.2090 D ",
291 "vdwmmff 32 0.7500 3.1500 3.8900 1.2820 A ",
292 "vdwmmff 33 0.1500 0.8000 4.2000 1.2090 D ",
293 "vdwmmff 34 1.0000 2.8200 3.8900 1.2820 - ",
294 "vdwmmff 35 1.5000 3.1500 3.8900 1.2820 A ",
295 "vdwmmff 36 0.1500 0.8000 4.2000 1.2090 D ",
296 "vdwmmff 37 1.3500 2.4900 3.8900 1.2820 - ",
297 "vdwmmff 38 0.8500 2.8200 3.8900 1.2820 A ",
298 "vdwmmff 39 1.1000 2.8200 3.8900 1.2820 - ",
299 "vdwmmff 40 1.0000 2.8200 3.8900 1.2820 A ",
300 "vdwmmff 41 1.1000 2.4900 3.8900 1.2820 - ",
301 "vdwmmff 42 1.0000 2.8200 3.8900 1.2820 A ",
302 "vdwmmff 43 1.0000 2.8200 3.8900 1.2820 A ",
303 "vdwmmff 44 3.0000 4.8000 3.3200 1.3450 A ",
304 "vdwmmff 45 1.1500 2.8200 3.8900 1.2820 - ",
305 "vdwmmff 46 1.3000 2.8200 3.8900 1.2820 - ",
306 "vdwmmff 47 1.0000 2.8200 3.8900 1.2820 A ",
307 "vdwmmff 48 1.2000 2.8200 3.8900 1.2820 A ",
308 "vdwmmff 49 1.0000 3.1500 3.8900 1.2820 - ",
309 "vdwmmff 50 0.1500 0.8000 4.2000 1.2090 D ",
310 "vdwmmff 51 0.4000 3.1500 3.8900 1.2820 - ",
311 "vdwmmff 52 0.1500 0.8000 4.2000 1.2090 D ",
312 "vdwmmff 53 1.0000 2.8200 3.8900 1.2820 - ",
313 "vdwmmff 54 1.3000 2.8200 3.8900 1.2820 - ",
314 "vdwmmff 55 0.8000 2.8200 3.8900 1.2820 - ",
315 "vdwmmff 56 0.8000 2.8200 3.8900 1.2820 - ",
316 "vdwmmff 57 1.0000 2.4900 3.8900 1.2820 - ",
317 "vdwmmff 58 0.8000 2.8200 3.8900 1.2820 - ",
318 "vdwmmff 59 0.6500 3.1500 3.8900 1.2820 A ",
319 "vdwmmff 60 1.8000 2.4900 3.8900 1.2820 A ",
320 "vdwmmff 61 0.8000 2.8200 3.8900 1.2820 A ",
321 "vdwmmff 62 1.3000 2.8200 3.8900 1.2820 A ",
322 "vdwmmff 63 1.3500 2.4900 3.8900 1.2820 - ",
323 "vdwmmff 64 1.3500 2.4900 3.8900 1.2820 - ",
324 "vdwmmff 65 1.0000 2.8200 3.8900 1.2820 A ",
325 "vdwmmff 66 0.7500 2.8200 3.8900 1.2820 A ",
326 "vdwmmff 67 0.9500 2.8200 3.8900 1.2820 A ",
327 "vdwmmff 68 0.9000 2.8200 3.8900 1.2820 A ",
328 "vdwmmff 69 0.9500 2.8200 3.8900 1.2820 A ",
329 "vdwmmff 70 0.8700 3.1500 3.8900 1.2820 A ",
330 "vdwmmff 71 0.1500 0.8000 4.2000 1.2090 D ",
331 "vdwmmff 72 4.0000 4.8000 3.3200 1.3450 A ",
332 "vdwmmff 73 3.0000 4.8000 3.3200 1.3450 - ",
333 "vdwmmff 74 3.0000 4.8000 3.3200 1.3450 - ",
334 "vdwmmff 75 4.0000 4.5000 3.3200 1.3450 A ",
335 "vdwmmff 76 1.2000 2.8200 3.8900 1.2820 A ",
336 "vdwmmff 77 1.5000 5.1000 3.3200 1.3450 A ",
337 "vdwmmff 78 1.3500 2.4900 3.8900 1.2820 - ",
338 "vdwmmff 79 1.0000 2.8200 3.8900 1.2820 A ",
339 "vdwmmff 80 1.0000 2.4900 3.8900 1.2820 - ",
340 "vdwmmff 81 0.8000 2.8200 3.8900 1.2820 - ",
341 "vdwmmff 82 0.9500 2.8200 3.8900 1.2820 A ",
342 "vdwmmff 87 0.4500 6.0000 4.0000 1.4000 - ",
343 "vdwmmff 88 0.5500 6.0000 4.0000 1.4000 - ",
344 "vdwmmff 89 1.4000 3.4800 3.8900 1.2820 A ",
345 "vdwmmff 90 3.4000 5.1000 3.3200 1.3450 A ",
346 "vdwmmff 91 6.0000 6.0000 3.1900 1.3590 A ",
347 "vdwmmff 92 0.1500 2.0000 4.0000 1.3000 - ",
348 "vdwmmff 93 0.4000 3.5000 4.0000 1.3000 - ",
349 "vdwmmff 94 1.0000 5.0000 4.0000 1.3000 - ",
350 "vdwmmff 95 0.4300 6.0000 4.0000 1.4000 - ",
351 "vdwmmff 96 0.9000 5.0000 4.0000 1.4000 - ",
352 "vdwmmff 97 0.3500 6.0000 4.0000 1.4000 - ",
353 "vdwmmff 98 0.4000 6.0000 4.0000 1.4000 - ",
354 "vdwmmff 99 0.3500 3.5000 4.0000 1.3000 - ",
355 "vdwmmff 100 0.7000 3.1500 3.8900 1.2820 A ",
356 "vdwmmff 101 0.7000 3.1500 3.8900 1.2820 A ",
357 //
358 // pos metals
359 "vdwmmff 301 1.0000 5.0000 4.0000 1.3000 - // Li+",
360 "vdwmmff 302 0.9000 5.0000 4.0000 1.4000 - // Be++",
361 "vdwmmff 303 1.0000 5.0000 4.0000 1.3000 - // Na+",
362 "vdwmmff 304 0.9000 5.0000 4.0000 1.4000 - // Mg+2",
363 "vdwmmff 305 1.0000 5.0000 4.0000 1.3000 - // K+",
364 "vdwmmff 306 0.9000 5.0000 4.0000 1.4000 - // Ca+2",
365 "vdwmmff 307 0.4500 6.0000 4.0000 1.4000 - // Sc",
366 "vdwmmff 308 0.4500 6.0000 4.0000 1.4000 - // Ti",
367 "vdwmmff 309 0.4500 6.0000 4.0000 1.4000 - // V",
368 "vdwmmff 310 0.4500 6.0000 4.0000 1.4000 - // Cr",
369 "vdwmmff 311 0.4500 6.0000 4.0000 1.4000 - // Mn",
370 "vdwmmff 312 0.4500 6.0000 4.0000 1.4000 - // Fe",
371 "vdwmmff 313 0.4500 6.0000 4.0000 1.4000 - // Co",
372 "vdwmmff 314 0.4500 6.0000 4.0000 1.4000 - // Ni",
373 "vdwmmff 315 0.4500 6.0000 4.0000 1.4000 - // Cu",
374 "vdwmmff 316 0.4500 6.0000 4.0000 1.4000 - // Zn",
375 "vdwmmff 317 0.4500 6.0000 4.0000 1.4000 - // Ga",
376 "vdwmmff 318 0.4500 6.0000 4.0000 1.4000 - // Ge",
377 "vdwmmff 319 0.4500 6.0000 4.0000 1.4000 - // As",
378 "vdwmmff 320 1.0000 7.0000 4.0000 1.3000 - // Rb+",
379 "vdwmmff 321 0.9000 7.0000 4.0000 1.4000 - // Sr+2",
380 "vdwmmff 322 0.4500 7.0000 4.0000 1.4000 - // Y",
381 "vdwmmff 323 0.4500 7.0000 4.0000 1.4000 - // Zr",
382 "vdwmmff 324 0.4500 7.0000 4.0000 1.4000 - // Nb",
383 "vdwmmff 325 0.4500 7.0000 4.0000 1.4000 - // Mo",
384 "vdwmmff 326 0.4500 7.0000 4.0000 1.4000 - // Tc",
385 "vdwmmff 327 0.4500 7.0000 4.0000 1.4000 - // Ru",
386 "vdwmmff 328 0.4500 7.0000 4.0000 1.4000 - // Rh",
387 "vdwmmff 329 0.4500 7.0000 4.0000 1.4000 - // Pd",
388 "vdwmmff 330 0.4500 7.0000 4.0000 1.4000 - // Ag",
389 "vdwmmff 331 0.4500 7.0000 4.0000 1.4000 - // Cd",
390 "vdwmmff 332 0.4500 7.0000 4.0000 1.4000 - // In",
391 "vdwmmff 333 0.4500 7.0000 4.0000 1.4000 - // Sn",
392 "vdwmmff 334 0.4500 7.0000 4.0000 1.4000 - // Sb",
393 "vdwmmff 335 0.4500 7.0000 4.0000 1.4000 - // Te",
394 "vdwmmff 336 1.0000 8.0000 4.0000 1.3000 - // Cs+",
395 "vdwmmff 337 0.9000 8.0000 4.0000 1.4000 - // Ba+2",
396 "vdwmmff 338 0.5000 8.0000 4.0000 1.4000 - // La",
397 "vdwmmff 339 0.5000 8.0000 4.0000 1.4000 - // Ce",
398 "vdwmmff 340 0.5000 8.0000 4.0000 1.4000 - // PR",
399 "vdwmmff 341 0.5000 8.0000 4.0000 1.4000 - // Nd",
400 "vdwmmff 342 0.5000 8.0000 4.0000 1.4000 - // Pm",
401 "vdwmmff 343 0.5000 8.0000 4.0000 1.4000 - // Sm",
402 "vdwmmff 344 0.5000 8.0000 4.0000 1.4000 - // Eu",
403 "vdwmmff 345 0.5000 8.0000 4.0000 1.4000 - // Gd",
404 "vdwmmff 346 0.5000 8.0000 4.0000 1.4000 - // Tb",
405 "vdwmmff 347 0.5000 8.0000 4.0000 1.4000 - // Dy",
406 "vdwmmff 348 0.5000 8.0000 4.0000 1.4000 - // Ho",
407 "vdwmmff 349 0.5000 8.0000 4.0000 1.4000 - // Er",
408 "vdwmmff 350 0.5000 8.0000 4.0000 1.4000 - // Tm",
409 "vdwmmff 351 0.5000 8.0000 4.0000 1.4000 - // Yb",
410 "vdwmmff 352 0.5000 8.0000 4.0000 1.4000 - // Lu",
411 "vdwmmff 353 0.5000 8.0000 4.0000 1.4000 - // Hf",
412 "vdwmmff 354 0.5000 8.0000 4.0000 1.4000 - // Ta",
413 "vdwmmff 355 0.5000 8.0000 4.0000 1.4000 - // W",
414 "vdwmmff 356 0.5000 8.0000 4.0000 1.4000 - // Re",
415 "vdwmmff 357 0.5000 8.0000 4.0000 1.4000 - // Os",
416 "vdwmmff 358 0.5000 8.0000 4.0000 1.4000 - // Ir",
417 "vdwmmff 359 0.5000 8.0000 4.0000 1.4000 - // Pt",
418 "vdwmmff 360 0.5000 8.0000 4.0000 1.4000 - // Au",
419 "vdwmmff 361 0.5000 8.0000 4.0000 1.4000 - // Hg",
420 "vdwmmff 362 0.5000 8.0000 4.0000 1.4000 - // Tl",
421 "vdwmmff 363 0.5000 8.0000 4.0000 1.4000 - // Pb",
422 "vdwmmff 364 0.5000 8.0000 4.0000 1.4000 - // Bi",
423 "vdwmmff 365 0.5000 8.0000 4.0000 1.4000 - // Po",
424 "vdwmmff 366 0.5000 8.0000 4.0000 1.4000 - // At",
425 "vdwmmff 367 1.0000 9.0000 4.0000 1.3000 - // Fr+",
426 "vdwmmff 368 0.9000 9.0000 4.0000 1.4000 - // Ra+2",
427 "vdwmmff 369 0.4000 9.0000 4.0000 1.4000 - // Ac",
428 "vdwmmff 370 0.4000 9.0000 4.0000 1.4000 - // Th",
429 "vdwmmff 371 0.4000 9.0000 4.0000 1.4000 - // Pa",
430 "vdwmmff 372 0.4000 9.0000 4.0000 1.4000 - // U",
431 "vdwmmff 373 0.4000 9.0000 4.0000 1.4000 - // Np",
432 "vdwmmff 374 0.4000 9.0000 4.0000 1.4000 - // Pu",
433 "vdwmmff 375 0.4000 9.0000 4.0000 1.4000 - // Am",
434 "vdwmmff 376 0.4000 9.0000 4.0000 1.4000 - // Cm",
435 "vdwmmff 377 0.4000 9.0000 4.0000 1.4000 - // Bk",
436 "vdwmmff 378 0.4000 9.0000 4.0000 1.4000 - // Cf",
437 "vdwmmff 379 0.4000 9.0000 4.0000 1.4000 - // Es",
438 "vdwmmff 380 0.4000 9.0000 4.0000 1.4000 - // Fm",
439 "vdwmmff 381 0.4000 9.0000 4.0000 1.4000 - // Md",
440 "vdwmmff 382 0.4000 9.0000 4.0000 1.4000 - // No",
441 //
442 //
443 /*
444 ##################################
445 ## ##
446 ## Bond Stretching Parameters ##
447 ## ##
448 ##################################
449 */
450 //
451 //
452 "bond 1 1 4.2580 1.5080 C94 ",
453 "bond 1 2 4.5390 1.4820 C94 ",
454 "bond 1 3 4.1900 1.4920 C94 ",
455 "bond 1 4 4.7070 1.4590 X94 ",
456 "bond 1 5 4.7660 1.0930 C94 ",
457 "bond 1 6 5.0470 1.4180 C94 ",
458 "bond 1 8 5.0840 1.4510 C94 ",
459 "bond 1 9 4.7630 1.4580 C94 ",
460 "bond 1 10 4.6640 1.4360 C94 ",
461 "bond 1 11 6.0110 1.3600 #C94 ",
462 "bond 1 12 2.9740 1.7730 C94 ",
463 "bond 1 13 2.5290 1.9490 E94 ",
464 "bond 1 14 1.7060 2.0900 E94 ",
465 "bond 1 15 2.8930 1.8050 C94 ",
466 "bond 1 17 2.8410 1.8130 X94 ",
467 "bond 1 18 3.2580 1.7720 X94 ",
468 "bond 1 19 2.8660 1.8300 #X94 ",
469 "bond 1 20 4.6500 1.5040 C94 ",
470 "bond 1 22 4.2860 1.4820 E94 ",
471 "bond 1 25 2.9800 1.8100 #X94 ",
472 "bond 1 26 2.7900 1.8300 #X94 ",
473 "bond 1 34 3.8440 1.4800 #C94 ",
474 "bond 1 35 7.9150 1.3070 X94 ",
475 "bond 1 37 4.9570 1.4860 C94 ",
476 "bond 1 39 6.1140 1.4450 C94 ",
477 "bond 1 40 4.9220 1.4460 C94 ",
478 "bond 1 41 3.8300 1.5100 #C94 ",
479 "bond 1 43 3.9710 1.4720 X94 ",
480 "bond 1 45 3.8440 1.4800 X94 ",
481 "bond 1 46 3.8130 1.4820 X94 ",
482 "bond 1 54 4.2670 1.4610 C94 ",
483 "bond 1 55 4.6460 1.4540 C94 ",
484 "bond 1 56 4.1660 1.4530 C94 ",
485 "bond 1 57 4.6690 1.4610 E94 ",
486 "bond 1 58 4.3290 1.4510 E94 ",
487 "bond 1 61 4.8450 1.4240 X94 ",
488 "bond 1 62 4.4560 1.4440 X94 ",
489 "bond 1 63 4.4810 1.4710 E94 ",
490 "bond 1 64 4.5180 1.4690 E94 ",
491 "bond 1 67 4.1880 1.4590 E94 ",
492 "bond 1 68 4.2170 1.4790 C94 ",
493 "bond 1 72 2.9560 1.8010 X94 ",
494 "bond 1 73 2.6080 1.8390 X94 ",
495 "bond 1 75 2.5470 1.8580 E94 ",
496 "bond 1 78 4.5930 1.4650 E94 ",
497 "bond 1 80 4.3730 1.4770 E94 ",
498 "bond 1 81 4.5120 1.4410 E94 ",
499 "bond 2 2 9.5050 1.3330 C94 ",
500 "bonddel 2 2 5.3100 1.4300 #C94 ",
501 "bonddel 2 3 4.5650 1.4680 C94 ",
502 "bond 2 4 9.5380 1.2970 E94 ",
503 "bonddel 2 4 5.6570 1.4150 E94 ",
504 "bond 2 5 5.1700 1.0830 C94 ",
505 "bond 2 6 5.5200 1.3730 C94 ",
506 "bonddel 2 9 6.3850 1.3600 E94 ",
507 "bond 2 10 6.3290 1.3620 E94 ",
508 "bond 2 11 6.2830 1.3500 #X94 ",
509 "bond 2 12 3.3900 1.7200 #X94 ",
510 "bond 2 13 3.4130 1.8540 E94 ",
511 "bond 2 14 2.0620 2.0250 E94 ",
512 "bond 2 15 3.8960 1.7200 E94 ",
513 "bond 2 17 3.2470 1.7730 E94 ",
514 "bond 2 18 3.7890 1.7280 E94 ",
515 "bond 2 19 3.0520 1.8110 E94 ",
516 "bond 2 20 4.5930 1.4650 E94 ",
517 "bond 2 22 4.9260 1.4480 E94 ",
518 "bond 2 25 3.7500 1.7420 E94 ",
519 "bond 2 30 8.1660 1.3310 E94 ",
520 "bond 2 34 5.2070 1.4070 E94 ",
521 "bond 2 35 10.3430 1.2500 #X94 ",
522 "bonddel 2 37 5.0070 1.4490 C94 ",
523 "bonddel 2 39 6.1640 1.3680 E94 ",
524 "bond 2 40 6.1100 1.3700 #C94 ",
525 "bond 2 41 3.7460 1.5050 C94 ",
526 "bond 2 43 4.9280 1.4200 E94 ",
527 "bond 2 45 4.7250 1.4300 #X94 ",
528 "bond 2 46 7.4660 1.3250 E94 ",
529 "bond 2 55 6.1640 1.3680 E94 ",
530 "bond 2 56 6.2460 1.3650 E94 ",
531 "bond 2 62 7.1050 1.3360 X94 ",
532 "bonddel 2 63 6.0300 1.4000 E94 ",
533 "bonddel 2 64 5.7540 1.4110 E94 ",
534 "bonddel 2 67 4.6850 1.4320 E94 ",
535 "bond 2 72 4.1790 1.7000 #X94 ",
536 "bonddel 2 81 6.3570 1.3610 E94 ",
537 "bonddel 3 3 4.4180 1.4890 C94 ",
538 "bonddel 3 4 5.1350 1.4380 E94 ",
539 "bond 3 5 4.6500 1.1010 C94 ",
540 "bond 3 6 5.8010 1.3550 C94 ",
541 "bond 3 7 12.9500 1.2220 C94 ",
542 "bond 3 9 10.0770 1.2900 C94 ",
543 "bonddel 3 9 6.2730 1.3640 E94 ",
544 "bond 3 10 5.8290 1.3690 C94 ",
545 "bond 3 11 6.5700 1.3400 E94 ",
546 "bond 3 12 3.4490 1.7150 E94 ",
547 "bond 3 15 3.5360 1.7480 E94 ",
548 "bond 3 16 4.7350 1.6650 E94 ",
549 "bond 3 17 2.8880 1.8080 E94 ",
550 "bond 3 18 3.3940 1.7600 E94 ",
551 "bond 3 20 3.2980 1.5300 C94 ",
552 "bond 3 22 4.5930 1.4650 E94 ",
553 "bond 3 25 3.1640 1.7920 E94 ",
554 "bonddel 3 30 4.4810 1.4710 E94 ",
555 "bond 3 35 11.0120 1.2370 E94 ",
556 "bonddel 3 37 4.4880 1.4570 C94 ",
557 "bonddel 3 39 5.9780 1.3750 E94 ",
558 "bond 3 40 6.1100 1.3700 #C94 ",
559 "bond 3 41 4.2860 1.4820 E94 ",
560 "bond 3 43 4.9280 1.4200 X94 ",
561 "bond 3 45 4.5310 1.4400 E94 ",
562 "bond 3 48 5.4120 1.3980 E94 ",
563 "bond 3 51 8.5620 1.2900 #X94 ",
564 "bond 3 53 7.6370 1.3200 #X94 ",
565 "bond 3 54 10.3330 1.2800 C94 ",
566 "bonddel 3 54 2.7710 1.5630 E94 ",
567 "bond 3 55 4.8860 1.4220 E94 ",
568 "bond 3 56 4.9070 1.4210 E94 ",
569 "bonddel 3 57 5.4920 1.4220 E94 ",
570 "bonddel 3 58 5.1630 1.4090 E94 ",
571 "bond 3 62 7.5680 1.3220 E94 ",
572 "bonddel 3 63 5.4680 1.4230 E94 ",
573 "bonddel 3 64 5.2880 1.4310 E94 ",
574 "bond 3 67 8.2170 1.3040 E94 ",
575 "bond 3 74 5.2040 1.6390 X94 ",
576 "bond 3 75 4.1910 1.7100 #X94 ",
577 "bonddel 3 78 5.7050 1.4130 E94 ",
578 "bonddel 3 80 6.7190 1.3750 E94 ",
579 "bond 4 4 15.2060 1.2000 #X94 ",
580 "bond 4 5 5.7260 1.0650 X94 ",
581 "bond 4 6 7.1930 1.3280 E94 ",
582 "bond 4 7 14.9160 1.1760 E94 ",
583 "bond 4 9 15.5890 1.1720 E94 ",
584 "bonddel 4 9 7.0410 1.3380 E94 ",
585 "bond 4 10 6.8240 1.3450 E94 ",
586 "bond 4 15 4.3300 1.6900 E94 ",
587 "bond 4 20 5.1780 1.4360 E94 ",
588 "bond 4 22 5.4000 1.4260 E94 ",
589 "bond 4 30 10.2270 1.2820 E94 ",
590 "bonddel 4 37 5.4450 1.4240 E94 ",
591 "bond 4 42 16.5820 1.1600 #X94 ",
592 "bond 4 43 6.9470 1.3410 E94 ",
593 "bonddel 4 63 5.6330 1.4160 E94 ",
594 "bonddel 4 64 5.4920 1.4220 E94 ",
595 "bond 5 19 2.2540 1.4850 X94 ",
596 "bond 5 20 4.8520 1.0930 C94 ",
597 "bond 5 22 5.1910 1.0820 C94 ",
598 "bond 5 30 5.1760 1.0860 C94 ",
599 "bond 5 37 5.3060 1.0840 C94 ",
600 "bond 5 41 3.2560 1.1440 C94 ",
601 "bond 5 57 5.6330 1.0760 C94 ",
602 "bond 5 63 5.5310 1.0800 C94 ",
603 "bond 5 64 5.5060 1.0800 C94 ",
604 "bond 5 78 5.5060 1.0800 C94 ",
605 "bond 5 80 5.6330 1.0760 C94 ",
606 "bond 6 6 4.0880 1.4490 E94 ",
607 "bond 6 8 5.0590 1.4500 C94 ",
608 "bond 6 9 4.4910 1.3950 E94 ",
609 "bond 6 10 5.9820 1.4100 C94 ",
610 "bond 6 15 4.7570 1.6610 E94 ",
611 "bond 6 17 5.7790 1.6080 E94 ",
612 "bond 6 18 5.3260 1.6300 #X94 ",
613 "bond 6 19 4.6610 1.6600 #X94 ",
614 "bond 6 20 5.6230 1.4330 C94 ",
615 "bond 6 21 7.7940 0.9720 C94 ",
616 "bond 6 22 4.5560 1.4330 E94 ",
617 "bond 6 24 7.4030 0.9810 C94 ",
618 "bond 6 25 5.2430 1.6300 #X94 ",
619 "bond 6 26 5.4810 1.6180 E94 ",
620 "bond 6 29 7.8390 0.9730 C94 ",
621 "bond 6 30 9.3590 1.2710 E94 ",
622 "bond 6 33 7.1430 0.9860 X94 ",
623 "bond 6 37 5.6140 1.3760 C94 ",
624 "bond 6 39 4.6290 1.3880 E94 ",
625 "bond 6 40 4.6090 1.3890 E94 ",
626 "bond 6 41 6.7540 1.3420 E94 ",
627 "bond 6 43 3.9370 1.4260 E94 ",
628 "bond 6 45 4.3210 1.4040 X94 ",
629 "bond 6 54 5.1170 1.3650 E94 ",
630 "bond 6 55 4.7720 1.3810 E94 ",
631 "bond 6 57 7.1280 1.3300 E94 ",
632 "bond 6 58 4.7920 1.3800 E94 ",
633 "bond 6 63 7.3240 1.3240 E94 ",
634 "bond 6 64 6.6640 1.3450 E94 ",
635 "bond 7 17 8.7700 1.5000 #X94 ",
636 "bond 7 46 9.3290 1.2350 X94 ",
637 "bond 7 74 9.1290 1.4900 #X94 ",
638 "bond 8 8 3.2640 1.4200 E94 ",
639 "bond 8 9 4.5810 1.3420 E94 ",
640 "bond 8 10 3.9090 1.3780 E94 ",
641 "bond 8 12 3.3710 1.7610 E94 ",
642 "bond 8 15 4.0600 1.6520 E94 ",
643 "bond 8 17 3.9010 1.6630 E94 ",
644 "bond 8 19 4.2540 1.7000 E94 ",
645 "bond 8 20 5.1070 1.4560 C94 ",
646 "bond 8 22 4.2230 1.4570 E94 ",
647 "bond 8 23 6.4900 1.0190 C94 ",
648 "bond 8 25 4.6290 1.6600 E94 ",
649 "bond 8 26 4.0270 1.6990 E94 ",
650 "bond 8 34 3.7750 1.3860 E94 ",
651 "bond 8 39 3.4350 1.4080 E94 ",
652 "bond 8 40 3.7100 1.3900 E94 ",
653 "bond 8 43 3.9770 1.3740 E94 ",
654 "bond 8 45 4.2670 1.3580 E94 ",
655 "bond 8 46 5.5190 1.3010 E94 ",
656 "bond 8 55 4.2290 1.3600 E94 ",
657 "bond 8 56 3.9950 1.3730 E94 ",
658 "bond 9 9 7.2560 1.2430 E94 ",
659 "bonddel 9 9 3.8080 1.3840 E94 ",
660 "bond 9 10 4.4800 1.3470 E94 ",
661 "bond 9 12 3.6350 1.7390 E94 ",
662 "bond 9 15 3.7910 1.6710 E94 ",
663 "bond 9 18 4.4650 1.6260 E94 ",
664 "bond 9 19 3.6870 1.7410 E94 ",
665 "bond 9 20 4.4010 1.4470 E94 ",
666 "bond 9 25 5.3790 1.6190 E94 ",
667 "bond 9 27 6.2300 1.0260 C94 ",
668 "bond 9 34 3.2230 1.4230 E94 ",
669 "bond 9 35 5.0950 1.3660 E94 ",
670 "bonddel 9 37 5.5290 1.3930 E94 ",
671 "bonddel 9 39 4.6850 1.3370 E94 ",
672 "bond 9 40 4.3820 1.3520 E94 ",
673 "bond 9 41 5.6500 1.3880 E94 ",
674 "bond 9 45 4.8570 1.3290 E94 ",
675 "bond 9 53 7.2910 1.2420 X94 ",
676 "bond 9 54 4.9910 1.3230 E94 ",
677 "bond 9 55 3.8250 1.3830 E94 ",
678 "bond 9 56 4.6020 1.3410 E94 ",
679 "bonddel 9 57 6.8240 1.3450 E94 ",
680 "bond 9 62 4.7490 1.3340 E94 ",
681 "bonddel 9 63 6.8240 1.3450 E94 ",
682 "bonddel 9 64 5.4580 1.3960 E94 ",
683 "bond 9 67 6.7520 1.2580 E94 ",
684 "bonddel 9 78 6.6440 1.3510 E94 ",
685 "bonddel 9 81 3.9090 1.3780 E94 ",
686 "bond 10 10 3.9770 1.3740 E94 ",
687 "bond 10 13 3.1100 1.8780 E94 ",
688 "bond 10 14 1.9670 2.0290 E94 ",
689 "bond 10 15 3.5930 1.6860 E94 ",
690 "bond 10 17 3.9300 1.6610 E94 ",
691 "bond 10 20 4.2400 1.4560 E94 ",
692 "bond 10 22 4.9700 1.4180 E94 ",
693 "bond 10 25 3.8200 1.7140 E94 ",
694 "bond 10 26 3.6510 1.7270 E94 ",
695 "bond 10 28 6.6630 1.0150 C94 ",
696 "bond 10 34 3.9600 1.3750 E94 ",
697 "bond 10 35 4.8980 1.3750 E94 ",
698 "bond 10 37 5.4820 1.3950 E94 ",
699 "bond 10 39 4.3820 1.3520 E94 ",
700 "bond 10 40 3.8410 1.3820 E94 ",
701 "bond 10 41 7.4660 1.3250 E94 ",
702 "bond 10 45 3.5240 1.4020 E94 ",
703 "bond 10 63 6.1370 1.3690 E94 ",
704 "bond 10 64 5.9520 1.3760 E94 ",
705 "bond 11 20 6.3390 1.3480 E94 ",
706 "bond 11 22 5.2960 1.3890 X94 ",
707 "bond 11 25 6.0190 1.5830 E94 ",
708 "bond 11 26 6.2040 1.5750 E94 ",
709 "bond 11 37 6.5110 1.3420 E94 ",
710 "bond 11 40 4.1870 1.4400 E94 ",
711 "bond 12 15 2.9780 2.0310 E94 ",
712 "bond 12 18 2.8080 2.0510 E94 ",
713 "bond 12 19 2.8380 2.0500 #X94 ",
714 "bond 12 20 2.8590 1.7510 C94 ",
715 "bond 12 22 3.0560 1.7500 #X94 ",
716 "bond 12 25 3.0630 2.0230 E94 ",
717 "bond 12 26 2.4480 2.1000 #X94 ",
718 "bond 12 37 3.3780 1.7210 E94 ",
719 "bond 12 40 3.7370 1.7310 E94 ",
720 "bond 12 57 3.7140 1.6940 E94 ",
721 "bond 12 63 3.4130 1.7180 E94 ",
722 "bond 12 64 3.6490 1.6990 E94 ",
723 "bond 13 20 2.7670 1.9200 E94 ",
724 "bond 13 22 2.9280 1.9020 E94 ",
725 "bond 13 37 3.0310 1.8910 E94 ",
726 "bond 13 64 3.0310 1.8910 E94 ",
727 "bond 14 20 0.8840 2.3320 E94 ",
728 "bond 14 37 1.7810 2.0750 E94 ",
729 "bond 15 15 2.5310 2.0500 C94 ",
730 "bond 15 18 2.2140 2.0940 E94 ",
731 "bond 15 19 2.0220 2.1460 E94 ",
732 "bond 15 20 2.7570 1.8220 E94 ",
733 "bond 15 22 3.8020 1.7270 E94 ",
734 "bond 15 25 2.3190 2.1120 E94 ",
735 "bond 15 26 2.3590 2.1060 E94 ",
736 "bond 15 30 3.7500 1.7310 E94 ",
737 "bond 15 37 3.5650 1.7650 C94 ",
738 "bond 15 40 3.8590 1.6660 E94 ",
739 "bond 15 43 3.2210 1.7170 E94 ",
740 "bond 15 57 3.9930 1.7130 E94 ",
741 "bond 15 63 3.7240 1.7330 E94 ",
742 "bond 15 64 3.5480 1.7470 E94 ",
743 "bond 15 71 4.0140 1.3410 C94 ",
744 "bond 17 20 2.3970 1.8650 E94 ",
745 "bond 17 22 2.5660 1.8440 E94 ",
746 "bond 17 37 3.0980 1.7870 E94 ",
747 "bond 17 43 4.9000 1.6010 E94 ",
748 "bond 18 20 3.1720 1.7800 E94 ",
749 "bond 18 22 2.7570 1.8220 E94 ",
750 "bond 18 32 10.7480 1.4500 #X94 ",
751 "bond 18 37 3.2810 1.7700 X94 ",
752 "bond 18 39 3.5040 1.6930 X94 ",
753 "bond 18 43 3.3010 1.7100 #X94 ",
754 "bond 18 48 6.1860 1.5400 X94 ",
755 "bond 18 55 4.4320 1.6280 E94 ",
756 "bond 18 58 2.5680 1.7830 E94 ",
757 "bond 18 62 5.5100 1.5700 #X94 ",
758 "bond 18 63 3.5240 1.7490 E94 ",
759 "bond 18 64 3.8560 1.7230 E94 ",
760 "bond 18 80 4.1500 1.7020 E94 ",
761 "bond 19 20 2.2880 1.9000 E94 ",
762 "bond 19 37 3.0720 1.8090 E94 ",
763 "bond 19 40 4.4700 1.6860 E94 ",
764 "bond 19 63 3.2190 1.7950 E94 ",
765 "bond 19 75 1.6000 2.2260 E94 ",
766 "bond 20 20 3.6630 1.5260 C94 ",
767 "bond 20 22 4.2510 1.4840 E94 ",
768 "bond 20 25 2.7180 1.8380 E94 ",
769 "bond 20 26 2.5880 1.8530 E94 ",
770 "bond 20 30 3.9770 1.5070 C94 ",
771 "bond 20 34 4.1710 1.4600 E94 ",
772 "bond 20 37 3.7400 1.5160 E94 ",
773 "bond 20 40 4.7840 1.4270 E94 ",
774 "bond 20 41 4.2860 1.4820 E94 ",
775 "bond 20 43 3.7370 1.4870 E94 ",
776 "bond 20 45 3.8440 1.4800 E94 ",
777 "bond 22 22 3.9690 1.4990 C94 ",
778 "bond 22 30 3.7850 1.5130 E94 ",
779 "bond 22 34 4.1030 1.4640 E94 ",
780 "bond 22 37 4.4810 1.4710 E94 ",
781 "bond 22 40 4.1880 1.4590 E94 ",
782 "bond 22 41 5.0710 1.4410 E94 ",
783 "bond 22 43 4.0700 1.4660 E94 ",
784 "bond 22 45 4.3110 1.4520 E94 ",
785 "bond 23 39 7.1120 1.0120 C94 ",
786 "bond 23 62 6.3390 1.0260 X94 ",
787 "bond 23 67 6.6100 1.0190 #E94 ",
788 "bond 23 68 5.8990 1.0380 C94 ",
789 "bond 25 25 1.5140 2.2530 E94 ",
790 "bond 25 32 8.2960 1.5100 #X94 ",
791 "bond 25 37 3.5860 1.7550 E94 ",
792 "bond 25 39 4.3700 1.6760 E94 ",
793 "bond 25 40 4.6290 1.6600 E94 ",
794 "bond 25 43 3.2370 1.7620 X94 ",
795 "bond 25 57 4.3560 1.6990 E94 ",
796 "bond 25 63 3.7110 1.7450 E94 ",
797 "bond 25 71 3.0010 1.4110 X94 ",
798 "bond 25 72 3.7440 1.9500 #X94 ",
799 "bond 26 26 1.4140 2.2790 E94 ",
800 "bond 26 34 3.3950 1.7480 E94 ",
801 "bond 26 37 3.2070 1.7880 E94 ",
802 "bond 26 40 4.8700 1.6460 E94 ",
803 "bond 26 71 2.9590 1.4150 C94 ",
804 "bond 28 40 6.5760 1.0180 C94 ",
805 "bond 28 43 6.2650 1.0280 X94 ",
806 "bond 28 48 6.4130 1.0240 X94 ",
807 "bond 30 30 9.5790 1.3430 C94 ",
808 "bonddel 30 30 5.3550 1.4280 E94 ",
809 "bond 30 40 8.4470 1.2980 E94 ",
810 "bonddel 30 67 5.2740 1.4040 E94 ",
811 "bond 31 70 7.8800 0.9690 C94 ",
812 "bond 32 41 9.7560 1.2610 C94 ",
813 "bond 32 45 9.4200 1.2330 X94 ",
814 "bond 32 67 7.9260 1.2690 E94 ",
815 "bond 32 68 4.3980 1.3480 C94 ",
816 "bond 32 69 6.0980 1.2610 C94 ",
817 "bond 32 73 8.4270 1.5100 #X94 ",
818 "bond 32 77 10.6480 1.4500 #X94 ",
819 "bond 32 82 8.5940 1.2520 E94 ",
820 "bond 34 36 6.1630 1.0280 C94 ",
821 "bond 34 37 4.3470 1.4500 E94 ",
822 "bond 34 43 4.4010 1.3510 E94 ",
823 "bond 35 37 9.7670 1.2620 E94 ",
824 "bond 35 63 12.7600 1.2070 E94 ",
825 "bond 36 54 6.5290 1.0220 C94 ",
826 "bond 36 55 6.7440 1.0140 C94 ",
827 "bond 36 56 6.4900 1.0170 C94 ",
828 "bond 36 58 6.6100 1.0190 #E94 ",
829 "bond 36 81 6.9800 1.0160 C94 ",
830 "bond 37 37 5.5730 1.3740 C94 ",
831 "bonddel 37 37 5.1780 1.4360 E94 ",
832 "bond 37 38 5.7370 1.3330 C94 ",
833 "bond 37 39 5.9780 1.3750 E94 ",
834 "bonddel 37 39 5.6500 1.3880 E94 ",
835 "bond 37 40 6.1680 1.3980 C94 ",
836 "bond 37 41 4.5370 1.4680 E94 ",
837 "bond 37 43 4.7640 1.4280 X94 ",
838 "bond 37 45 4.7050 1.4310 E94 ",
839 "bond 37 46 6.1910 1.3670 E94 ",
840 "bond 37 55 6.6150 1.3520 E94 ",
841 "bond 37 56 5.0550 1.4140 E94 ",
842 "bonddel 37 57 5.0920 1.4400 E94 ",
843 "bond 37 58 7.4320 1.3260 E94 ",
844 "bonddel 37 58 5.0550 1.4140 E94 ",
845 "bond 37 61 5.7240 1.3850 E94 ",
846 "bond 37 62 7.1370 1.3350 E94 ",
847 "bond 37 63 6.0950 1.3720 C94 ",
848 "bonddel 37 63 5.1780 1.4360 E94 ",
849 "bond 37 64 6.1610 1.3790 C94 ",
850 "bonddel 37 64 5.2650 1.4320 E94 ",
851 "bonddel 37 67 4.7250 1.4300 E94 ",
852 "bond 37 69 5.3960 1.3520 C94 ",
853 "bond 37 78 6.7190 1.3750 E94 ",
854 "bond 37 81 3.9870 1.4710 E94 ",
855 "bonddel 37 81 4.5310 1.4400 E94 ",
856 "bond 38 38 5.0020 1.2460 C94 ",
857 "bond 38 63 7.2990 1.3300 E94 ",
858 "bond 38 64 6.9780 1.3400 E94 ",
859 "bond 38 69 5.0360 1.3210 E94 ",
860 "bond 38 78 6.2180 1.3660 E94 ",
861 "bond 39 40 4.1010 1.3670 E94 ",
862 "bond 39 45 3.5240 1.4020 E94 ",
863 "bond 39 63 6.3010 1.3640 C94 ",
864 "bonddel 39 63 6.1370 1.3690 E94 ",
865 "bond 39 64 6.3570 1.3610 E94 ",
866 "bonddel 39 64 5.4820 1.3950 E94 ",
867 "bond 39 65 5.5130 1.3390 C94 ",
868 "bond 39 78 6.1370 1.3690 E94 ",
869 "bond 40 40 4.2480 1.3590 E94 ",
870 "bond 40 45 4.3050 1.3560 E94 ",
871 "bond 40 46 4.7270 1.3350 E94 ",
872 "bond 40 54 6.8170 1.2560 E94 ",
873 "bond 40 63 6.7330 1.3480 E94 ",
874 "bond 40 64 6.6440 1.3510 E94 ",
875 "bond 40 78 5.9000 1.3780 E94 ",
876 "bond 41 41 5.0290 1.4430 E94 ",
877 "bond 41 55 5.5770 1.3910 E94 ",
878 "bond 41 62 7.1370 1.3350 E94 ",
879 "bond 41 72 4.5190 1.6780 X94 ",
880 "bond 41 80 5.2220 1.4340 E94 ",
881 "bond 42 61 16.2230 1.0870 E94 ",
882 "bond 43 43 4.2110 1.3610 E94 ",
883 "bond 43 45 3.7100 1.3900 E94 ",
884 "bond 43 64 5.3890 1.3990 E94 ",
885 "bond 44 63 3.5890 1.7170 C94 ",
886 "bond 44 65 3.3740 1.6840 C94 ",
887 "bond 44 78 3.7110 1.7340 E94 ",
888 "bond 44 80 3.9100 1.7190 E94 ",
889 "bond 45 63 5.1190 1.4110 E94 ",
890 "bond 45 64 5.0760 1.4130 E94 ",
891 "bond 45 78 5.7240 1.3850 E94 ",
892 "bond 47 53 12.1920 1.1400 #X94 ",
893 "bond 49 50 6.8120 0.9910 C94 ",
894 "bond 51 52 7.1000 0.9870 X94 ",
895 "bond 55 57 7.2270 1.3190 C94 ",
896 "bond 55 62 3.9770 1.3740 E94 ",
897 "bond 55 64 5.5290 1.3930 E94 ",
898 "bond 55 80 7.5000 1.3240 E94 ",
899 "bond 56 57 4.1370 1.3830 C94 ",
900 "bond 56 63 5.9000 1.3780 E94 ",
901 "bond 56 80 6.4700 1.3570 E94 ",
902 "bonddel 57 63 5.4000 1.4260 E94 ",
903 "bonddel 57 64 5.1350 1.4380 E94 ",
904 "bond 58 63 6.7940 1.3460 E94 ",
905 "bond 58 64 6.1640 1.3680 E94 ",
906 "bond 59 63 5.7870 1.3600 C94 ",
907 "bond 59 65 4.7560 1.3880 C94 ",
908 "bond 59 78 6.1270 1.3640 E94 ",
909 "bond 59 80 7.0640 1.3320 E94 ",
910 "bond 59 82 3.8550 1.4310 E94 ",
911 "bond 60 61 15.7490 1.1700 #X94 ",
912 "bond 62 63 6.9470 1.3410 E94 ",
913 "bond 62 64 6.2730 1.3640 E94 ",
914 "bonddel 63 63 5.7290 1.4120 E94 ",
915 "bond 63 64 7.1180 1.3770 C94 ",
916 "bond 63 66 8.3260 1.3130 C94 ",
917 "bond 63 72 4.5030 1.6790 E94 ",
918 "bond 63 78 7.4340 1.3520 E94 ",
919 "bond 63 81 7.7780 1.3160 E94 ",
920 "bond 64 64 4.3130 1.4180 C94 ",
921 "bonddel 64 64 4.9260 1.4480 E94 ",
922 "bond 64 65 8.2580 1.3350 C94 ",
923 "bond 64 66 4.4560 1.3690 C94 ",
924 "bond 64 78 5.4920 1.4220 E94 ",
925 "bond 64 81 5.8240 1.3810 E94 ",
926 "bond 64 82 6.7940 1.3460 E94 ",
927 "bond 65 66 7.2430 1.3230 C94 ",
928 "bond 65 78 8.4470 1.2980 E94 ",
929 "bond 65 81 5.2230 1.3130 E94 ",
930 "bond 65 82 5.6220 1.2970 E94 ",
931 "bond 66 66 3.8740 1.3680 C94 ",
932 "bond 66 78 6.3850 1.3600 E94 ",
933 "bond 66 81 3.9600 1.3750 E94 ",
934 "bond 67 67 6.0850 1.2800 E94 ",
935 "bond 71 75 2.8520 1.4230 X94 ",
936 "bond 72 73 2.6280 2.0350 X94 ",
937 "bond 76 76 4.2860 1.3570 X94 ",
938 "bond 76 78 6.8240 1.3450 X94 ",
939 "bond 78 78 5.5730 1.3740 C94 ",
940 "bond 78 79 8.8900 1.2870 E94 ",
941 "bond 78 81 5.0460 1.3810 C94 ",
942 "bond 79 79 6.4080 1.2690 E94 ",
943 "bond 79 81 4.3050 1.3560 E94 ",
944 "bond 80 81 8.2370 1.3350 C94 ",
945 "bond 69 100 6.0980 1.2610 BPH",
946 "bond 25 101 8.2960 1.5100 BPH",
947 "bond 100 374 0.5700 2.0960 BPH",
948 "bond 101 374 0.5700 2.0960 BPH",
949 //
950 //
951 /*
952 ################################
953 ## ##
954 ## Angle Bending Parameters ##
955 ## ##
956 ################################
957 */
958 //
959 //
960 "angle 1 1 1 0.8510 109.6080 C94 ",
961 "angle 1 1 2 0.7360 109.4450 C94 ",
962 "angle 1 1 3 0.7770 107.5170 C94 ",
963 "angle 1 1 4 1.0060 110.2650 E94 ",
964 "angle 1 1 5 0.6360 110.5490 C94 ",
965 "angle 1 1 6 0.9920 108.1330 C94 ",
966 "angle 1 1 8 0.7770 108.2900 C94 ",
967 "angle 1 1 9 1.1360 108.1940 E94 ",
968 "angle 1 1 10 1.0500 109.9600 C94 ",
969 "angle 1 1 11 1.2250 108.3130 C94 ",
970 "angle 1 1 12 1.0560 108.6790 C94 ",
971 "angle 1 1 13 1.0780 106.8200 E94 ",
972 "angle 1 1 14 0.9800 109.9450 E94 ",
973 "angle 1 1 15 0.7430 107.3970 C94 ",
974 "angle 1 1 17 1.0890 108.5780 E94 ",
975 "angle 1 1 18 1.0930 109.3150 E94 ",
976 "angle 1 1 19 0.7550 115.4360 E94 ",
977 "angle 1 1 20 1.0210 108.6590 E94 ",
978 "angle 1 1 22 1.0010 110.1250 E94 ",
979 "angle 1 1 25 0.8030 112.3560 X94 ",
980 "angle 1 1 26 0.8330 109.8790 E94 ",
981 "angle 1 1 34 1.1790 106.4930 C94 ",
982 "angle 1 1 37 0.7560 108.6170 C94 ",
983 "angle 1 1 39 0.9270 109.1700 C94 ",
984 "angle 1 1 40 1.1300 108.6780 E94 ",
985 "angle 1 1 41 0.3300 98.4220 C94 ",
986 "angle 1 1 43 1.1350 108.0190 E94 ",
987 "angle 1 1 45 1.1970 105.0280 E94 ",
988 "angle 1 1 54 1.1730 106.4240 E94 ",
989 "angle 1 1 55 1.1500 107.6040 E94 ",
990 "angle 1 1 56 1.1990 110.3710 C94 ",
991 "angle 1 1 57 1.0120 109.9000 E94 ",
992 "angle 1 1 58 1.1790 106.3270 E94 ",
993 "angle 1 1 61 1.1250 109.3110 E94 ",
994 "angle 1 1 63 1.0060 110.0580 E94 ",
995 "angle 1 1 64 0.9880 111.0640 E94 ",
996 "angle 1 1 67 1.2160 104.5570 E94 ",
997 "angle 1 1 68 1.0180 107.1950 C94 ",
998 "angle 1 1 73 1.1600 104.6580 E94 ",
999 "angle 1 1 78 1.0120 109.8500 E94 ",
1000 "angle 1 1 80 0.9470 113.3270 E94 ",
1001 "angle 1 1 81 1.1080 109.8370 E94 ",
1002 "angle 2 1 2 1.1130 111.4530 C94 ",
1003 "angle 2 1 3 0.6670 104.8290 C94 ",
1004 "angle 2 1 4 1.0220 109.8730 E94 ",
1005 "angle 2 1 5 0.6320 110.2920 C94 ",
1006 "angle 2 1 6 1.0740 108.6990 C94 ",
1007 "angle 2 1 8 0.8840 111.5530 C94 ",
1008 "angle 2 1 9 1.1180 109.5770 E94 ",
1009 "angle 2 1 10 1.1600 107.9630 E94 ",
1010 "angle 2 1 11 1.1920 110.4190 E94 ",
1011 "angle 2 1 12 1.0700 109.4100 E94 ",
1012 "angle 2 1 15 1.0780 109.5600 E94 ",
1013 "angle 2 1 17 1.0770 109.4340 E94 ",
1014 "angle 2 1 18 1.1880 105.1100 E94 ",
1015 "angle 2 1 20 1.0530 107.4480 E94 ",
1016 "angle 2 1 22 0.9420 114.0200 E94 ",
1017 "angle 2 1 25 0.8930 106.8150 E94 ",
1018 "angle 2 1 26 1.0290 99.0650 E94 ",
1019 "angle 2 1 34 1.0660 111.8170 E94 ",
1020 "angle 2 1 37 0.9850 111.4460 E94 ",
1021 "angle 2 1 39 1.1240 109.5130 E94 ",
1022 "angle 2 1 40 1.1490 108.2700 E94 ",
1023 "angle 2 1 45 1.2320 103.9780 E94 ",
1024 "angle 2 1 63 0.9350 114.6920 E94 ",
1025 "angle 2 1 67 1.2240 104.6870 E94 ",
1026 "angle 3 1 3 0.9740 111.7460 E94 ",
1027 "angle 3 1 4 1.0190 109.8500 E94 ",
1028 "angle 3 1 5 0.6500 108.3850 C94 ",
1029 "angle 3 1 6 0.5280 104.1120 C94 ",
1030 "angle 3 1 8 1.1970 105.8370 E94 ",
1031 "angle 3 1 9 1.2010 105.5350 E94 ",
1032 "angle 3 1 10 0.6340 102.6550 C94 ",
1033 "angle 3 1 11 1.1890 110.3280 E94 ",
1034 "angle 3 1 12 1.1360 106.0640 E94 ",
1035 "angle 3 1 13 1.1470 103.6450 E94 ",
1036 "angle 3 1 14 1.0480 106.4040 E94 ",
1037 "angle 3 1 15 1.1250 107.1920 E94 ",
1038 "angle 3 1 17 1.0920 108.6020 E94 ",
1039 "angle 3 1 18 1.1200 108.1190 E94 ",
1040 "angle 3 1 20 0.9690 111.8300 E94 ",
1041 "angle 3 1 22 0.9990 110.5220 E94 ",
1042 "angle 3 1 26 0.7420 116.5550 E94 ",
1043 "angle 3 1 34 1.1410 107.8710 E94 ",
1044 "angle 3 1 37 1.0110 109.8330 E94 ",
1045 "angle 3 1 39 1.1360 108.7510 E94 ",
1046 "angle 3 1 40 1.1740 106.9410 E94 ",
1047 "angle 3 1 41 1.0330 108.2160 E94 ",
1048 "angle 3 1 45 1.2210 104.2810 E94 ",
1049 "angle 3 1 63 1.0690 107.0770 E94 ",
1050 "angle 3 1 64 1.0280 109.1860 E94 ",
1051 "angle 3 1 81 1.1670 107.3270 E94 ",
1052 "angle 4 1 4 0.9540 114.1860 E94 ",
1053 "angle 4 1 5 0.6150 111.4170 X94 ",
1054 "angle 4 1 6 1.2730 109.9770 E94 ",
1055 "angle 4 1 8 1.0990 111.0630 E94 ",
1056 "angle 4 1 9 1.1870 106.7500 E94 ",
1057 "angle 4 1 10 1.1170 110.4880 E94 ",
1058 "angle 4 1 13 1.0210 110.0470 E94 ",
1059 "angle 4 1 15 1.0280 112.4320 E94 ",
1060 "angle 4 1 18 1.1870 105.3510 E94 ",
1061 "angle 4 1 22 1.1740 102.5560 E94 ",
1062 "angle 4 1 26 0.8530 108.9990 E94 ",
1063 "angle 4 1 34 1.1480 108.1600 E94 ",
1064 "angle 4 1 37 0.9930 111.4240 E94 ",
1065 "angle 5 1 5 0.5160 108.8360 C94 ",
1066 "angle 5 1 6 0.7810 108.5770 C94 ",
1067 "angle 5 1 8 0.6530 110.2970 C94 ",
1068 "angle 5 1 9 0.7330 109.8940 C94 ",
1069 "angle 5 1 10 0.7400 107.6460 C94 ",
1070 "angle 5 1 11 0.8750 107.8970 C94 ",
1071 "angle 5 1 12 0.6980 108.1620 C94 ",
1072 "angle 5 1 13 0.6130 106.0490 E94 ",
1073 "angle 5 1 14 0.5080 113.0190 E94 ",
1074 "angle 5 1 15 0.5760 109.6090 C94 ",
1075 "angle 5 1 17 0.6340 107.9440 X94 ",
1076 "angle 5 1 18 0.6630 106.8550 X94 ",
1077 "angle 5 1 19 0.4500 113.1950 X94 ",
1078 "angle 5 1 20 0.7060 111.0000 C94 ",
1079 "angle 5 1 22 0.6180 110.3800 E94 ",
1080 "angle 5 1 25 0.4870 109.4860 X94 ",
1081 "angle 5 1 26 0.4660 111.1720 X94 ",
1082 "angle 5 1 34 0.8720 106.2240 C94 ",
1083 "angle 5 1 35 0.6440 125.6630 X94 ",
1084 "angle 5 1 37 0.6270 109.4910 C94 ",
1085 "angle 5 1 39 0.8110 106.2990 C94 ",
1086 "angle 5 1 40 0.7190 109.8700 C94 ",
1087 "angle 5 1 41 0.5250 108.9040 C94 ",
1088 "angle 5 1 43 0.6920 109.0830 X94 ",
1089 "angle 5 1 45 0.7410 105.1970 X94 ",
1090 "angle 5 1 46 0.7190 106.7350 X94 ",
1091 "angle 5 1 54 0.8740 106.9730 C94 ",
1092 "angle 5 1 55 0.8610 108.5070 C94 ",
1093 "angle 5 1 56 0.8140 108.2230 C94 ",
1094 "angle 5 1 57 0.6260 110.4200 E94 ",
1095 "angle 5 1 58 0.7500 105.4810 E94 ",
1096 "angle 5 1 61 0.7100 109.2270 X94 ",
1097 "angle 5 1 62 0.6550 113.0350 X94 ",
1098 "angle 5 1 63 0.6210 110.4670 E94 ",
1099 "angle 5 1 64 0.6220 110.4570 E94 ",
1100 "angle 5 1 67 0.7320 106.4740 E94 ",
1101 "angle 5 1 68 0.7480 103.8170 C94 ",
1102 "angle 5 1 72 0.5470 116.5760 X94 ",
1103 "angle 5 1 73 0.6330 107.1530 X94 ",
1104 "angle 5 1 78 0.6400 109.0780 E94 ",
1105 "angle 5 1 80 0.6840 105.1440 E94 ",
1106 "angle 5 1 81 0.7210 107.8700 E94 ",
1107 "angle 6 1 6 1.1560 111.3680 C94 ",
1108 "angle 6 1 8 1.3330 112.2230 E94 ",
1109 "angle 6 1 9 1.2240 116.9500 E94 ",
1110 "angle 6 1 10 1.4320 108.5680 E94 ",
1111 "angle 6 1 11 1.5930 106.9000 E94 ",
1112 "angle 6 1 15 1.2730 112.0120 E94 ",
1113 "angle 6 1 17 1.3480 108.6550 E94 ",
1114 "angle 6 1 19 0.9060 117.2140 E94 ",
1115 "angle 6 1 20 1.2930 108.2020 E94 ",
1116 "angle 6 1 22 1.2870 108.9130 E94 ",
1117 "angle 6 1 25 1.1710 103.5980 E94 ",
1118 "angle 6 1 26 0.8880 118.4330 E94 ",
1119 "angle 6 1 34 1.2570 114.9750 E94 ",
1120 "angle 6 1 37 0.8780 107.9780 C94 ",
1121 "angle 6 1 39 1.4850 106.4640 E94 ",
1122 "angle 6 1 40 1.3710 110.7790 E94 ",
1123 "angle 6 1 41 1.3330 106.4670 E94 ",
1124 "angle 6 1 45 1.5230 104.4380 E94 ",
1125 "angle 6 1 57 1.3080 108.4670 E94 ",
1126 "angle 6 1 63 1.3510 106.5350 E94 ",
1127 "angle 6 1 64 1.2380 111.3080 E94 ",
1128 "angle 8 1 8 1.2030 110.8560 E94 ",
1129 "angle 8 1 9 1.1330 114.0800 E94 ",
1130 "angle 8 1 10 1.2580 108.6830 E94 ",
1131 "angle 8 1 12 1.2170 107.2510 E94 ",
1132 "angle 8 1 15 1.1200 112.3560 E94 ",
1133 "angle 8 1 20 1.1160 109.3530 E94 ",
1134 "angle 8 1 25 1.1430 98.6980 E94 ",
1135 "angle 8 1 34 1.1380 113.4120 E94 ",
1136 "angle 8 1 37 1.0900 110.9920 E94 ",
1137 "angle 8 1 39 1.3640 104.1930 E94 ",
1138 "angle 8 1 40 0.9640 123.9620 E94 ",
1139 "angle 8 1 41 1.2340 103.8680 E94 ",
1140 "angle 8 1 43 1.1370 113.5960 E94 ",
1141 "angle 8 1 45 1.5830 96.1390 E94 ",
1142 "angle 8 1 57 1.0380 114.2660 E94 ",
1143 "angle 8 1 63 1.1040 110.5980 E94 ",
1144 "angle 8 1 64 1.1560 108.1270 E94 ",
1145 "angle 9 1 10 1.2090 110.7200 E94 ",
1146 "angle 9 1 12 1.1730 109.1520 E94 ",
1147 "angle 9 1 15 1.0240 117.4650 E94 ",
1148 "angle 9 1 25 1.0600 102.4320 E94 ",
1149 "angle 9 1 37 1.0770 111.5650 E94 ",
1150 "angle 9 1 40 1.0840 116.7280 E94 ",
1151 "angle 9 1 80 1.1630 107.5090 E94 ",
1152 "angle 10 1 10 1.1910 111.9950 E94 ",
1153 "angle 10 1 15 1.1610 110.5020 E94 ",
1154 "angle 10 1 17 1.2690 105.5090 E94 ",
1155 "angle 10 1 20 1.2200 104.8380 E94 ",
1156 "angle 10 1 22 1.1320 109.2620 E94 ",
1157 "angle 10 1 25 1.0150 104.8220 E94 ",
1158 "angle 10 1 37 1.1070 110.4230 E94 ",
1159 "angle 10 1 40 1.2640 108.5360 E94 ",
1160 "angle 10 1 41 1.0870 110.9610 E94 ",
1161 "angle 10 1 57 1.2680 103.6220 E94 ",
1162 "angle 11 1 11 1.6380 106.0810 C94 ",
1163 "angle 11 1 15 1.2540 109.5170 E94 ",
1164 "angle 11 1 20 1.2430 107.6370 E94 ",
1165 "angle 11 1 25 1.2440 97.5320 E94 ",
1166 "angle 11 1 34 1.3380 108.6690 E94 ",
1167 "angle 11 1 35 1.5560 110.3670 E94 ",
1168 "angle 11 1 37 1.1510 112.2780 E94 ",
1169 "angle 11 1 41 1.3010 105.0530 E94 ",
1170 "angle 11 1 45 1.5500 100.9910 E94 ",
1171 "angle 11 1 73 1.3030 106.5690 E94 ",
1172 "angle 11 1 75 0.8840 114.3780 E94 ",
1173 "angle 12 1 12 1.0960 110.4220 C94 ",
1174 "angle 12 1 15 1.1460 111.0640 E94 ",
1175 "angle 12 1 18 1.2990 104.8270 E94 ",
1176 "angle 12 1 19 0.9320 108.9710 E94 ",
1177 "angle 12 1 20 1.0810 108.6050 E94 ",
1178 "angle 12 1 22 1.0970 108.0280 E94 ",
1179 "angle 12 1 25 0.9890 106.1180 E94 ",
1180 "angle 12 1 37 1.0760 109.0300 E94 ",
1181 "angle 12 1 39 1.1500 110.3590 E94 ",
1182 "angle 12 1 45 1.3530 101.4300 E94 ",
1183 "angle 12 1 63 1.0710 109.4740 E94 ",
1184 "angle 12 1 64 1.0930 108.3380 E94 ",
1185 "angle 13 1 13 1.0930 111.6450 E94 ",
1186 "angle 13 1 20 1.0840 106.5340 E94 ",
1187 "angle 13 1 22 1.0680 107.4690 E94 ",
1188 "angle 13 1 45 1.3050 101.3830 E94 ",
1189 "angle 14 1 20 1.0210 107.7180 E94 ",
1190 "angle 15 1 15 1.1470 111.8960 E94 ",
1191 "angle 15 1 25 1.0590 103.3080 E94 ",
1192 "angle 15 1 34 1.2220 107.3180 E94 ",
1193 "angle 15 1 37 1.0510 110.9590 E94 ",
1194 "angle 15 1 40 1.1490 111.0050 E94 ",
1195 "angle 15 1 41 1.2630 100.9810 E94 ",
1196 "angle 15 1 63 1.0600 110.5960 E94 ",
1197 "angle 15 1 64 1.0590 110.7030 E94 ",
1198 "angle 15 1 73 1.2890 105.0290 E94 ",
1199 "angle 17 1 37 1.0650 110.0490 E94 ",
1200 "angle 18 1 20 1.1210 107.9600 E94 ",
1201 "angle 18 1 22 1.2830 101.1250 E94 ",
1202 "angle 18 1 37 1.2030 104.3900 E94 ",
1203 "angle 18 1 45 1.2870 105.2730 E94 ",
1204 "angle 18 1 64 1.0930 109.6830 E94 ",
1205 "angle 19 1 54 0.7720 119.5060 E94 ",
1206 "angle 20 1 20 1.2290 99.0840 E94 ",
1207 "angle 20 1 37 1.0520 107.4280 E94 ",
1208 "angle 20 1 45 1.1690 106.3350 E94 ",
1209 "angle 22 1 22 0.9900 111.2260 E94 ",
1210 "angle 22 1 25 0.8850 107.2930 E94 ",
1211 "angle 22 1 34 1.0450 112.9400 E94 ",
1212 "angle 22 1 37 1.0370 108.5860 E94 ",
1213 "angle 22 1 45 1.1820 106.1810 E94 ",
1214 "angle 25 1 25 0.5510 127.1380 E94 ",
1215 "angle 25 1 34 0.7790 119.2710 E94 ",
1216 "angle 25 1 37 0.7840 113.9450 E94 ",
1217 "angle 25 1 40 1.0620 102.4170 E94 ",
1218 "angle 25 1 58 0.9160 110.2340 E94 ",
1219 "angle 26 1 26 0.6250 118.7000 E94 ",
1220 "angle 34 1 34 1.2160 109.1670 E94 ",
1221 "angle 34 1 37 1.0750 111.2750 E94 ",
1222 "angle 34 1 41 1.0480 112.2380 E94 ",
1223 "angle 34 1 63 1.0770 111.4120 E94 ",
1224 "angle 34 1 73 1.1420 110.2400 E94 ",
1225 "angle 37 1 37 0.9860 111.3150 E94 ",
1226 "angle 37 1 40 1.1290 109.1880 E94 ",
1227 "angle 37 1 43 1.0740 111.4780 E94 ",
1228 "angle 37 1 45 1.2590 102.8000 E94 ",
1229 "angle 37 1 57 0.9810 112.0470 E94 ",
1230 "angle 37 1 64 1.1750 102.2390 E94 ",
1231 "angle 37 1 68 1.1000 109.9830 E94 ",
1232 "angle 37 1 78 1.0050 110.6380 E94 ",
1233 "angle 37 1 81 1.1760 107.0400 E94 ",
1234 "angle 39 1 39 1.2600 108.5470 E94 ",
1235 "angle 40 1 40 1.1820 112.0050 E94 ",
1236 "angle 40 1 55 1.3220 105.7860 E94 ",
1237 "angle 40 1 63 1.0320 114.5050 E94 ",
1238 "angle 40 1 64 1.0000 116.3760 E94 ",
1239 "angle 41 1 41 1.0820 105.4000 E94 ",
1240 "angle 41 1 63 1.0610 107.1120 E94 ",
1241 "angle 41 1 81 1.0930 110.5530 E94 ",
1242 "angle 45 1 45 1.3910 102.0880 E94 ",
1243 "angle 1 2 1 0.7520 118.0430 C94 ",
1244 "angle 1 2 2 0.6720 122.1410 C94 ",
1245 "angdel 1 2 2 0.6840 116.9290 C94 ",
1246 "angdel 1 2 3 0.6980 116.1040 C94 ",
1247 "angle 1 2 4 0.8280 125.0450 E94 ",
1248 "angdel 1 2 4 0.8460 121.6130 E94 ",
1249 "angle 1 2 5 0.4460 120.1080 C94 ",
1250 "angle 1 2 6 1.1600 115.5180 E94 ",
1251 "angle 1 2 10 1.0150 116.7070 E94 ",
1252 "angle 1 2 12 0.9830 115.3430 E94 ",
1253 "angle 1 2 13 0.9640 115.3950 E94 ",
1254 "angle 1 2 15 0.9390 119.4650 E94 ",
1255 "angle 1 2 17 0.8830 121.8680 E94 ",
1256 "angle 1 2 18 0.9610 117.9180 E94 ",
1257 "angle 1 2 20 0.8800 118.3100 E94 ",
1258 "angle 1 2 22 0.8730 119.1140 E94 ",
1259 "angle 1 2 30 0.8260 124.6050 E94 ",
1260 "angdel 1 2 37 0.7210 116.0640 C94 ",
1261 "angle 1 2 40 0.9820 118.5150 E94 ",
1262 "angle 1 2 45 1.1210 109.9210 E94 ",
1263 "angle 1 2 56 1.0060 117.1920 E94 ",
1264 "angdel 1 2 63 0.7680 127.9450 E94 ",
1265 "angdel 1 2 64 0.9660 113.8840 E94 ",
1266 "angdel 1 2 67 1.1150 110.1850 E94 ",
1267 "angle 2 2 2 0.7470 121.5500 C94 ",
1268 "angdel 2 2 2 0.7960 126.2840 E94 ",
1269 "ang3del 2 2 2 0.1730 60.5490 E94 ",
1270 "angle 2 2 3 0.5450 111.2970 C94 ",
1271 "angdel 2 2 3 0.8930 118.4560 E94 ",
1272 "ang3del 2 2 3 0.1840 59.1450 E94 ",
1273 "angle 2 2 4 0.9020 121.0530 E94 ",
1274 "angdel 2 2 4 0.8890 119.7940 E94 ",
1275 "angle 2 2 5 0.5350 121.0040 C94 ",
1276 "angdel 2 2 5 0.4630 118.4420 C94 ",
1277 "angle 2 2 6 1.1170 121.2670 C94 ",
1278 "angdel 2 2 6 1.2040 114.5380 E94 ",
1279 "angle 2 2 9 0.9600 123.5360 E94 ",
1280 "angdel 2 2 9 1.0450 116.2730 E94 ",
1281 "angle 2 2 10 1.0030 120.8280 E94 ",
1282 "angdel 2 2 10 1.0260 117.3240 E94 ",
1283 "angle 2 2 11 1.0890 119.1000 X94 ",
1284 "angdel 2 2 11 1.0900 116.8280 E94 ",
1285 "angle 2 2 12 0.9310 120.1320 X94 ",
1286 "angdel 2 2 12 0.9570 117.5260 E94 ",
1287 "angle 2 2 13 0.8670 122.7170 E94 ",
1288 "angle 2 2 14 0.8180 122.5840 E94 ",
1289 "angdel 2 2 14 0.8190 122.3440 E94 ",
1290 "angle 2 2 15 0.9310 121.5530 E94 ",
1291 "angdel 2 2 15 0.9490 119.4660 E94 ",
1292 "angle 2 2 17 0.9770 117.1670 E94 ",
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1294 "angle 2 2 19 0.6680 124.7210 E94 ",
1295 "angle 2 2 20 0.9310 117.7840 E94 ",
1296 "angle 2 2 22 0.8090 126.8200 E94 ",
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1299 "angle 2 2 34 1.0660 116.1510 E94 ",
1300 "angle 2 2 35 0.9110 137.1030 X94 ",
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1303 "angdel 2 2 39 0.9760 122.3600 E94 ",
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1307 "angle 2 2 43 1.1440 111.8080 E94 ",
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1311 "angle 2 2 55 0.9950 121.1540 E94 ",
1312 "angle 2 2 56 1.2340 108.8790 E94 ",
1313 "angle 2 2 62 0.8080 135.2690 X94 ",
1314 "angdel 2 2 63 0.9480 118.2770 E94 ",
1315 "angle 2 2 64 0.8660 123.5280 E94 ",
1316 "angdel 2 2 64 0.8590 121.9980 E94 ",
1317 "angdel 2 2 67 1.1320 112.1360 E94 ",
1318 "angle 2 2 72 0.7700 134.2690 X94 ",
1319 "angdel 2 2 81 1.0780 116.5410 E94 ",
1320 "angdel 3 2 3 0.8530 120.3700 E94 ",
1321 "angdel 3 2 4 0.8780 119.7390 E94 ",
1322 "angdel 3 2 5 0.4870 117.2910 C94 ",
1323 "angdel 3 2 6 1.1420 116.7380 E94 ",
1324 "angdel 3 2 9 1.0050 117.6480 E94 ",
1325 "angdel 3 2 10 1.0390 115.6980 E94 ",
1326 "angdel 3 2 11 1.1500 112.8760 E94 ",
1327 "angdel 3 2 12 0.9970 114.7320 E94 ",
1328 "angdel 3 2 13 0.9460 116.6430 E94 ",
1329 "angdel 3 2 14 0.8910 117.1110 E94 ",
1330 "angdel 3 2 15 1.0230 114.6350 E94 ",
1331 "angdel 3 2 20 0.8700 119.2650 E94 ",
1332 "angdel 3 2 22 0.8160 123.5100 E94 ",
1333 "angdel 3 2 30 1.0250 112.2090 E94 ",
1334 "angdel 3 2 34 1.0990 111.7230 E94 ",
1335 "angdel 3 2 35 1.1410 118.7670 E94 ",
1336 "angdel 3 2 37 0.8680 119.7580 E94 ",
1337 "angdel 3 2 40 1.0240 116.4080 E94 ",
1338 "angdel 3 2 41 0.8550 119.5050 E94 ",
1339 "angdel 3 2 43 1.0460 114.2570 E94 ",
1340 "angdel 3 2 45 1.0770 112.4010 E94 ",
1341 "angdel 3 2 46 1.0660 114.8410 E94 ",
1342 "angdel 4 2 4 0.8320 124.1580 E94 ",
1343 "angle 4 2 5 0.5730 121.0000 #E94 ",
1344 "angdel 4 2 5 0.5450 120.0000 #E94 ",
1345 "angdel 4 2 9 0.9730 120.8450 E94 ",
1346 "angdel 4 2 15 0.9060 122.4470 E94 ",
1347 "angdel 4 2 18 0.9470 119.5370 E94 ",
1348 "angdel 4 2 30 0.8190 126.9380 E94 ",
1349 "angdel 4 2 37 0.8640 121.0930 E94 ",
1350 "angdel 4 2 40 1.0830 114.3550 E94 ",
1351 "angdel 4 2 45 1.1580 109.4260 E94 ",
1352 "angdel 4 2 63 0.8600 122.4420 E94 ",
1353 "angle 5 2 5 0.3650 119.5230 C94 ",
1354 "angle 5 2 6 0.5890 108.7570 C94 ",
1355 "angdel 5 2 9 0.6430 117.0000 #E94 ",
1356 "angle 5 2 10 0.6670 114.8590 E94 ",
1357 "angle 5 2 11 0.7950 108.1860 X94 ",
1358 "angle 5 2 12 0.6220 110.6500 X94 ",
1359 "angle 5 2 13 0.5660 113.5130 E94 ",
1360 "angle 5 2 15 0.5460 119.5620 E94 ",
1361 "angle 5 2 17 0.4920 124.0000 #E94 ",
1362 "angle 5 2 18 0.5480 119.0530 E94 ",
1363 "angle 5 2 22 0.5340 120.0000 #E94 ",
1364 "angle 5 2 25 0.3950 124.0000 #E94 ",
1365 "angle 5 2 30 0.5720 120.0000 #E94 ",
1366 "angle 5 2 35 0.6820 124.1640 X94 ",
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1368 "angdel 5 2 39 0.6550 115.7240 E94 ",
1369 "angle 5 2 40 0.5680 112.3220 C94 ",
1370 "angle 5 2 41 0.2940 123.7060 C94 ",
1371 "angle 5 2 45 0.7280 107.7740 X94 ",
1372 "angle 5 2 55 0.6510 116.0000 #E94 ",
1373 "angle 5 2 62 0.5680 125.3440 X94 ",
1374 "angdel 5 2 63 0.5500 120.0000 #E94 ",
1375 "angdel 5 2 64 0.5460 120.0000 #E94 ",
1376 "angle 5 2 72 0.5310 122.0090 X94 ",
1377 "angdel 5 2 81 0.6650 115.0000 #E94 ",
1378 "angdel 6 2 9 1.2140 120.5200 E94 ",
1379 "angle 6 2 10 1.3110 115.9210 E94 ",
1380 "angle 6 2 22 1.0800 120.5600 E94 ",
1381 "angle 6 2 35 1.1720 132.3910 E94 ",
1382 "angdel 6 2 37 1.1980 114.4410 E94 ",
1383 "angle 6 2 40 1.2390 119.0730 E94 ",
1384 "angle 6 2 45 1.6370 102.4380 E94 ",
1385 "angdel 9 2 10 1.0980 119.8020 E94 ",
1386 "angdel 9 2 15 0.9150 127.5740 E94 ",
1387 "angdel 9 2 37 0.9810 119.5360 E94 ",
1388 "angdel 9 2 40 0.9220 130.5210 E94 ",
1389 "angle 10 2 12 1.1440 112.7230 E94 ",
1390 "angle 10 2 15 1.0780 117.5190 E94 ",
1391 "angle 10 2 25 1.1440 100.8180 E94 ",
1392 "angdel 10 2 37 1.0210 117.1390 E94 ",
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1394 "angle 10 2 41 0.9510 120.0000 E94 ",
1395 "angle 12 2 12 1.0120 119.1050 E94 ",
1396 "angle 12 2 17 1.1100 114.2060 E94 ",
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1398 "angle 12 2 19 0.7040 126.6460 E94 ",
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1400 "angle 12 2 30 0.8920 122.7530 E94 ",
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1402 "angle 12 2 45 1.0760 115.5430 E94 ",
1403 "angle 13 2 18 1.1320 113.6160 E94 ",
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1406 "angdel 15 2 37 1.0070 115.7570 E94 ",
1407 "angle 15 2 40 0.8950 128.9240 E94 ",
1408 "angle 17 2 17 1.0510 117.9550 E94 ",
1409 "angdel 18 2 37 1.1830 106.6080 E94 ",
1410 "angle 22 2 22 0.8410 122.1080 E94 ",
1411 "angle3 22 2 22 0.1800 58.9630 E94 ",
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1413 "angdel 30 2 37 0.8490 123.8160 E94 ",
1414 "angdel 35 2 37 0.9910 128.0320 E94 ",
1415 "angle 37 2 37 0.5980 117.5080 BPH same as 2 2 37",
1416 "angdel 37 2 37 0.8170 124.2290 BPH same as 2 2 37",
1417 "angle 40 2 40 0.9490 128.4360 E94 ",
1418 "angle 40 2 56 1.0720 120.9870 E94 ",
1419 "angdel 40 2 63 0.9220 124.2680 E94 ",
1420 "angdel 40 2 64 0.9550 121.8810 E94 ",
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1423 "angdel 64 2 64 0.8880 120.3420 E94 ",
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1425 "angdel 1 3 2 1.1060 116.8530 C94 ",
1426 "angdel 1 3 3 1.2140 114.6120 C94 ",
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1428 "angle 1 3 6 1.0430 109.7160 C94 ",
1429 "angle 1 3 7 0.9380 124.4100 C94 ",
1430 "angle 1 3 9 0.9780 119.7880 E94 ",
1431 "angdel 1 3 9 1.0380 115.1320 E94 ",
1432 "angle 1 3 10 0.9840 112.7350 C94 ",
1433 "angle 1 3 12 1.0070 113.9720 E94 ",
1434 "angle 1 3 15 1.0240 113.6120 E94 ",
1435 "angle 1 3 16 0.9490 119.9860 E94 ",
1436 "angle 1 3 18 0.7320 134.0970 E94 ",
1437 "angle 1 3 20 0.8300 120.3120 E94 ",
1438 "angle 1 3 22 0.9280 115.0010 E94 ",
1439 "angle 1 3 35 1.0580 122.8080 E94 ",
1440 "angdel 1 3 37 1.0510 115.1910 C94 ",
1441 "angdel 1 3 39 1.1780 107.8950 E94 ",
1442 "angle 1 3 40 0.9790 118.4570 E94 ",
1443 "angle 1 3 41 0.8970 116.6810 E94 ",
1444 "angle 1 3 43 1.0460 113.7310 X94 ",
1445 "angle 1 3 45 1.1320 109.0190 E94 ",
1446 "angle 1 3 51 1.1600 116.5730 X94 ",
1447 "angle 1 3 53 1.0520 115.0650 X94 ",
1448 "angle 1 3 54 1.1350 111.3220 E94 ",
1449 "angdel 1 3 58 1.1620 108.1290 E94 ",
1450 "angle 1 3 62 1.1190 111.5230 E94 ",
1451 "angdel 1 3 63 0.9090 117.0010 E94 ",
1452 "angdel 1 3 64 0.8870 118.2530 E94 ",
1453 "angle 1 3 67 1.1420 110.6660 E94 ",
1454 "angle 1 3 74 1.0100 116.8510 X94 ",
1455 "angle 1 3 75 0.6460 128.0370 X94 ",
1456 "angdel 2 3 2 0.9760 112.5620 E94 ",
1457 "ang3del 2 3 2 0.1570 62.7920 E94 ",
1458 "angdel 2 3 3 0.9570 113.2390 E94 ",
1459 "angdel 2 3 5 0.9010 115.3500 C94 ",
1460 "angdel 2 3 6 0.9320 106.5100 C94 ",
1461 "angdel 2 3 7 0.9360 122.6230 C94 ",
1462 "angdel 2 3 9 0.8310 122.2530 C94 ",
1463 "angdel 2 3 9 1.1200 111.4080 E94 ",
1464 "angdel 2 3 10 1.0420 111.7210 C94 ",
1465 "angdel 2 3 12 0.9010 120.7690 E94 ",
1466 "angdel 2 3 15 1.0570 112.1050 E94 ",
1467 "angdel 2 3 16 0.8810 124.8500 E94 ",
1468 "angdel 2 3 22 0.9690 113.0270 E94 ",
1469 "angdel 2 3 25 0.8530 109.7940 E94 ",
1470 "angdel 2 3 37 0.9730 112.9350 E94 ",
1471 "angdel 2 3 39 1.1970 107.5920 E94 ",
1472 "angdel 2 3 40 0.9100 123.4370 E94 ",
1473 "angdel 2 3 43 1.1050 111.1690 E94 ",
1474 "angdel 2 3 53 1.0820 114.0320 E94 ",
1475 "angdel 2 3 54 1.0120 118.5880 E94 ",
1476 "angdel 2 3 55 1.1860 107.2780 E94 ",
1477 "angdel 2 3 56 1.1510 108.9090 E94 ",
1478 "angdel 2 3 63 0.9180 116.9470 E94 ",
1479 "angdel 2 3 64 1.0330 110.0840 E94 ",
1480 "angdel 2 3 67 1.0220 117.5970 E94 ",
1481 "angdel 3 3 3 0.8220 121.7750 E94 ",
1482 "ang4del 3 3 3 1.2800 89.9650 E94 ",
1483 "angdel 3 3 5 0.9430 113.7620 C94 ",
1484 "angdel 3 3 6 0.9350 103.0300 C94 ",
1485 "angdel 3 3 7 0.9190 117.0240 C94 ",
1486 "angdel 3 3 9 1.0500 115.7040 E94 ",
1487 "angdel 3 3 10 1.1290 110.4210 E94 ",
1488 "angdel 3 3 12 1.0530 111.4920 E94 ",
1489 "angdel 3 3 15 1.3900 97.5620 E94 ",
1490 "angdel 3 3 16 1.0920 111.8880 E94 ",
1491 "angdel 3 3 20 0.9770 110.9100 E94 ",
1492 "angdel 3 3 22 1.0100 110.2950 E94 ",
1493 "ang4del 3 3 30 1.3530 87.7890 E94 ",
1494 "angdel 3 3 37 0.9320 114.9490 E94 ",
1495 "angdel 3 3 39 1.2370 105.3840 E94 ",
1496 "angdel 3 3 40 1.0030 117.1240 E94 ",
1497 "angdel 3 3 41 0.7900 124.3610 E94 ",
1498 "angdel 3 3 45 0.9190 121.0230 E94 ",
1499 "angdel 3 3 53 1.1700 109.1690 E94 ",
1500 "angdel 3 3 63 0.9810 112.6850 E94 ",
1501 "angdel 3 3 64 0.8800 118.8400 E94 ",
1502 "angdel 3 3 67 1.1190 111.8600 E94 ",
1503 "angdel 4 3 6 1.2690 111.7500 E94 ",
1504 "angdel 4 3 7 1.1260 120.8520 E94 ",
1505 "angdel 4 3 9 1.1920 109.8330 E94 ",
1506 "angdel 4 3 37 0.9640 114.0810 E94 ",
1507 "angle 5 3 5 0.5940 116.6990 C94 ",
1508 "angle 5 3 6 0.8190 108.2530 C94 ",
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1511 "angdel 5 3 9 0.6380 117.1680 E94 ",
1512 "angle 5 3 10 0.8740 111.7610 C94 ",
1513 "angle 5 3 16 0.5220 124.4050 E94 ",
1514 "angdel 5 3 37 0.5640 116.4000 E94 ",
1515 "angle 5 3 40 0.9590 111.6840 C94 ",
1516 "angle 5 3 53 0.6440 118.0000 #E94 ",
1517 "angle 5 3 54 0.8160 115.4710 C94 ",
1518 "angdel 5 3 63 0.5590 118.0000 #E94 ",
1519 "angdel 5 3 64 0.5660 117.0000 #E94 ",
1520 "angle 5 3 67 0.7000 113.6980 E94 ",
1521 "angle 6 3 6 1.6780 109.0940 E94 ",
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1524 "angdel 6 3 9 1.4160 111.8680 E94 ",
1525 "angle 6 3 10 1.4050 112.1870 E94 ",
1526 "angle 6 3 16 1.2690 116.3170 E94 ",
1527 "angle 6 3 20 1.1820 113.5810 E94 ",
1528 "angle4 6 3 20 1.4950 93.1300 E94 ",
1529 "angle 6 3 22 1.2760 110.8260 E94 ",
1530 "ang4del 6 3 30 1.5300 93.1910 E94 ",
1531 "angdel 6 3 37 0.8080 102.8810 C94 ",
1532 "angdel 6 3 39 1.6110 104.6550 E94 ",
1533 "angle 6 3 40 1.3710 113.5650 E94 ",
1534 "angle 6 3 41 1.4770 102.6580 E94 ",
1535 "angle 6 3 43 1.3300 114.1830 E94 ",
1536 "angle 6 3 48 1.3150 115.3280 E94 ",
1537 "angle 6 3 51 1.4090 120.4270 E94 ",
1538 "angle 6 3 54 1.4950 110.5100 E94 ",
1539 "angle 6 3 62 1.4210 112.5420 E94 ",
1540 "angdel 6 3 63 1.3390 109.0820 E94 ",
1541 "angdel 6 3 64 1.2670 111.9930 E94 ",
1542 "angdel 6 3 80 1.2560 113.6980 E94 ",
1543 "angdel 7 3 9 1.1470 127.0840 E94 ",
1544 "angle 7 3 10 0.9070 127.1520 C94 ",
1545 "angle 7 3 12 0.9840 130.0490 E94 ",
1546 "angle 7 3 15 1.1010 123.3130 E94 ",
1547 "angle 7 3 20 0.7130 129.4920 C94 ",
1548 "angle 7 3 22 1.0930 121.8510 E94 ",
1549 "angdel 7 3 30 0.9720 129.0100 E94 ",
1550 "angdel 7 3 37 0.7340 119.9680 C94 ",
1551 "angdel 7 3 39 1.3520 116.7270 E94 ",
1552 "angle 7 3 41 1.2810 112.0870 E94 ",
1553 "angle 7 3 43 1.1630 124.5490 X94 ",
1554 "angle 7 3 48 1.1140 127.8790 E94 ",
1555 "angdel 7 3 54 1.2880 114.1840 E94 ",
1556 "angle 7 3 55 1.2580 120.0560 E94 ",
1557 "angle 7 3 56 1.1750 123.8540 E94 ",
1558 "angdel 7 3 58 1.3230 117.0810 E94 ",
1559 "angle 7 3 62 1.1290 129.3490 E94 ",
1560 "angdel 7 3 63 1.0360 126.4560 E94 ",
1561 "angdel 7 3 64 1.0710 124.1330 E94 ",
1562 "angdel 7 3 78 0.9550 132.0470 E94 ",
1563 "angdel 9 3 9 1.1190 120.0940 E94 ",
1564 "angdel 9 3 9 1.0210 124.1310 E94 ",
1565 "angle 9 3 10 1.1050 120.6970 E94 ",
1566 "angdel 9 3 10 1.1540 116.6080 E94 ",
1567 "angle 9 3 12 1.0560 118.0460 E94 ",
1568 "angle 9 3 15 1.0360 119.6790 E94 ",
1569 "angdel 9 3 15 1.0420 118.7870 E94 ",
1570 "angdel 9 3 16 0.9360 127.6650 E94 ",
1571 "angle 9 3 17 1.0350 117.9020 E94 ",
1572 "angle 9 3 18 1.1210 114.6980 E94 ",
1573 "angle 9 3 20 0.9510 120.4370 E94 ",
1574 "angle 9 3 22 1.0400 116.8610 E94 ",
1575 "angle 9 3 25 0.9550 109.4420 E94 ",
1576 "angle 9 3 35 1.0540 134.4700 E94 ",
1577 "angdel 9 3 37 0.9970 119.5690 E94 ",
1578 "angdel 9 3 37 1.0600 114.7400 E94 ",
1579 "angle 9 3 40 0.8440 128.0780 C94 ",
1580 "angdel 9 3 40 1.0180 124.1520 E94 ",
1581 "angle 9 3 41 1.1140 112.5130 E94 ",
1582 "angle 9 3 45 1.4970 102.1400 E94 ",
1583 "angdel 9 3 54 1.2440 108.0560 E94 ",
1584 "angdel 9 3 57 1.0380 118.0960 E94 ",
1585 "angdel 9 3 63 1.0040 120.0540 E94 ",
1586 "angdel 9 3 64 1.0530 117.0600 E94 ",
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1589 "angle 10 3 15 1.1670 112.2060 E94 ",
1590 "angle 10 3 16 1.0050 123.1500 E94 ",
1591 "angle 10 3 18 1.2990 106.0520 E94 ",
1592 "angle 10 3 20 1.0190 115.2130 E94 ",
1593 "angle4 10 3 20 1.3380 92.7240 E94 ",
1594 "angle 10 3 22 1.0760 113.6510 E94 ",
1595 "ang4del 10 3 30 1.4380 90.5080 E94 ",
1596 "angle 10 3 35 1.2230 122.6490 E94 ",
1597 "angdel 10 3 37 1.1010 112.4950 E94 ",
1598 "angdel 10 3 39 1.4340 104.4190 E94 ",
1599 "angle 10 3 40 1.0930 119.6970 E94 ",
1600 "angle 10 3 43 1.1440 115.9290 E94 ",
1601 "angle 10 3 51 1.3750 114.6850 E94 ",
1602 "angle 10 3 55 1.2860 109.5900 E94 ",
1603 "angle 10 3 56 1.2000 113.1680 E94 ",
1604 "angdel 10 3 63 1.0750 114.6230 E94 ",
1605 "angdel 10 3 64 1.0980 113.2330 E94 ",
1606 "angdel 10 3 78 1.1820 109.5430 E94 ",
1607 "angle 11 3 40 1.2960 113.2440 E94 ",
1608 "angle 11 3 75 0.8500 120.9640 E94 ",
1609 "angle 12 3 40 1.0950 115.2840 E94 ",
1610 "angdel 12 3 63 0.9650 117.2170 E94 ",
1611 "angle 12 3 74 1.1100 116.5020 E94 ",
1612 "angle 15 3 15 1.1090 115.6200 E94 ",
1613 "angle 15 3 16 0.9810 124.3290 E94 ",
1614 "angle 15 3 17 1.1910 110.6070 E94 ",
1615 "angle 15 3 18 1.0610 118.0340 E94 ",
1616 "angle4 15 3 20 1.3450 91.0410 E94 ",
1617 "angdel 15 3 30 1.0260 113.7530 E94 ",
1618 "angdel 15 3 37 1.0370 113.3050 E94 ",
1619 "angle 15 3 40 1.0660 117.3880 E94 ",
1620 "angdel 15 3 57 0.8960 122.2600 E94 ",
1621 "angle 15 3 67 1.4070 102.5830 E94 ",
1622 "angle 15 3 74 1.0760 119.1170 E94 ",
1623 "angdel 16 3 30 0.9910 117.6950 E94 ",
1624 "angle 16 3 35 1.0300 130.2300 E94 ",
1625 "angdel 16 3 37 0.9340 121.4150 E94 ",
1626 "angdel 16 3 39 1.0040 123.1960 E94 ",
1627 "angle 16 3 62 0.9630 126.3470 E94 ",
1628 "angdel 16 3 63 1.0060 117.4540 E94 ",
1629 "angdel 16 3 64 1.0640 114.1100 E94 ",
1630 "angle 17 3 17 0.9390 123.5280 E94 ",
1631 "angdel 18 3 37 0.9480 118.1880 E94 ",
1632 "angle4 20 3 20 1.4950 94.8000 C94 ",
1633 "angle4 20 3 22 1.2860 89.4590 E94 ",
1634 "ang4del 20 3 37 1.2820 89.7330 E94 ",
1635 "angle4 20 3 43 1.3840 90.5260 E94 ",
1636 "angle 22 3 22 0.9320 115.3340 E94 ",
1637 "angle4 22 3 22 1.4960 83.9150 E94 ",
1638 "angdel 22 3 37 0.9400 114.9950 E94 ",
1639 "angdel 25 3 37 0.6770 123.4040 E94 ",
1640 "angle 25 3 67 0.6610 131.5200 E94 ",
1641 "angdel 37 3 37 0.9330 115.5660 E94 ",
1642 "angdel 37 3 40 0.9870 118.7900 E94 ",
1643 "angdel 37 3 41 0.8640 119.5650 E94 ",
1644 "angdel 37 3 43 1.1250 110.3830 X94 ",
1645 "angdel 37 3 45 1.1200 110.2680 E94 ",
1646 "angdel 37 3 54 1.0330 117.6450 E94 ",
1647 "angdel 37 3 62 1.0850 114.1320 E94 ",
1648 "angdel 37 3 63 0.9340 116.1630 E94 ",
1649 "angdel 37 3 64 0.9550 114.7010 E94 ",
1650 "angdel 37 3 67 1.0840 114.4600 E94 ",
1651 "angdel 39 3 39 1.2310 112.5820 E94 ",
1652 "angle 40 3 40 1.1460 117.0020 C94 ",
1653 "angdel 40 3 63 0.8880 126.0890 E94 ",
1654 "angdel 40 3 64 1.1450 110.8890 E94 ",
1655 "angle 40 3 75 0.7900 122.1630 E94 ",
1656 "angle 45 3 53 1.3820 105.8490 E94 ",
1657 "angdel 55 3 64 1.2670 104.7470 E94 ",
1658 "angdel 64 3 64 0.9890 113.2800 E94 ",
1659 "angle 1 4 4 0.4230 180.0000 E94 ",
1660 "angle 1 4 42 0.4630 180.0000 E94 ",
1661 "angle 2 4 2 0.4420 180.0000 E94 ",
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2886 "angdel 4 63 59 1.2110 114.8040 E94 ",
2887 "angdel 4 63 64 0.7950 127.8170 E94 ",
2888 "angle 5 63 39 0.6170 121.1270 C94 ",
2889 "angle 5 63 44 0.3930 126.1410 C94 ",
2890 "angle 5 63 59 0.7840 114.0760 C94 ",
2891 "angle 5 63 64 0.5770 131.7210 C94 ",
2892 "angle 5 63 66 0.6430 125.1340 C94 ",
2893 "angle 5 63 78 0.4820 130.0000 #E94 ",
2894 "angle 5 63 81 0.5880 124.0000 #E94 ",
2895 "angle 6 63 39 1.2340 120.5090 E94 ",
2896 "angle 6 63 59 1.5640 113.5140 E94 ",
2897 "angle 6 63 64 0.9510 131.3010 E94 ",
2898 "angdel 9 63 39 1.0680 121.7410 E94 ",
2899 "angdel 9 63 44 0.9630 124.5980 E94 ",
2900 "angdel 9 63 64 0.8040 134.2370 E94 ",
2901 "angdel 9 63 66 0.9120 133.0200 E94 ",
2902 "angle 10 63 39 1.0840 120.3560 E94 ",
2903 "angle 10 63 44 1.1120 115.7320 E94 ",
2904 "angle 10 63 59 1.3070 116.2180 E94 ",
2905 "angle 10 63 64 0.8670 128.7500 E94 ",
2906 "angle 10 63 66 0.9810 127.6170 E94 ",
2907 "angle 12 63 39 1.1110 114.4390 E94 ",
2908 "angle 12 63 44 1.0350 119.3210 E94 ",
2909 "angle 12 63 64 0.8380 126.2260 E94 ",
2910 "angle 12 63 66 0.9800 122.2800 E94 ",
2911 "angle 15 63 39 1.0640 117.9580 E94 ",
2912 "angle 15 63 44 0.9520 125.6540 E94 ",
2913 "angle 15 63 64 0.8130 129.2840 E94 ",
2914 "angle 15 63 66 0.9620 124.4900 E94 ",
2915 "angle 18 63 44 1.1100 116.0770 E94 ",
2916 "angle 18 63 64 0.7400 135.0280 E94 ",
2917 "angle 19 63 39 0.6470 132.3690 E94 ",
2918 "angle 19 63 64 0.5170 141.9860 E94 ",
2919 "angle 25 63 39 0.5970 139.4390 E94 ",
2920 "angle 25 63 66 0.7760 122.6990 E94 ",
2921 "angle 35 63 59 1.3510 124.4750 E94 ",
2922 "angle 35 63 64 0.8080 145.0980 E94 ",
2923 "angle 37 63 39 1.0110 132.0460 C94 ",
2924 "angdel 37 63 39 0.9340 123.4810 E94 ",
2925 "angle 37 63 44 0.7640 133.9300 E94 ",
2926 "angdel 37 63 44 0.9150 121.6370 E94 ",
2927 "angle 37 63 59 1.0410 124.8360 E94 ",
2928 "angdel 37 63 59 1.2140 114.2110 E94 ",
2929 "angle 37 63 64 0.6790 122.8810 C94 ",
2930 "angdel 37 63 64 0.7420 131.7840 E94 ",
2931 "angle 37 63 66 0.7420 140.6680 E94 ",
2932 "angdel 37 63 66 0.8710 128.1300 E94 ",
2933 "angle 38 63 39 1.0220 124.8140 E94 ",
2934 "angle 38 63 64 0.9100 126.5130 E94 ",
2935 "angle 39 63 39 0.9100 131.4610 E94 ",
2936 "angdel 39 63 39 1.1050 119.1740 E94 ",
2937 "angle 39 63 40 1.1120 119.2610 E94 ",
2938 "angdel 39 63 44 1.1440 114.1260 E94 ",
2939 "angle 39 63 45 1.1660 115.1150 E94 ",
2940 "angdel 39 63 57 0.9310 123.2220 E94 ",
2941 "angle 39 63 58 1.0420 123.2310 E94 ",
2942 "angdel 39 63 63 0.9490 122.3530 E94 ",
2943 "angle 39 63 64 0.8130 107.2550 C94 ",
2944 "angdel 39 63 64 0.9430 123.4410 E94 ",
2945 "angle 39 63 66 1.0120 110.8650 C94 ",
2946 "angdel 39 63 66 1.0950 120.8340 E94 ",
2947 "angle 40 63 44 0.9430 125.8810 E94 ",
2948 "angle 40 63 59 1.2980 117.0780 E94 ",
2949 "angle 40 63 64 0.8450 130.8650 E94 ",
2950 "angle 40 63 66 0.9400 130.9260 E94 ",
2951 "angle 44 63 45 1.1250 114.6330 E94 ",
2952 "angle 44 63 56 1.0300 120.1780 E94 ",
2953 "angle 44 63 62 0.9910 122.8990 E94 ",
2954 "angdel 44 63 63 0.8940 123.3410 E94 ",
2955 "angle 44 63 64 0.8530 108.4800 C94 ",
2956 "angle 44 63 66 0.8540 114.5160 C94 ",
2957 "angle 44 63 72 0.9150 129.1290 E94 ",
2958 "angle 44 63 78 1.2170 106.2540 E94 ",
2959 "angle 44 63 81 1.2780 108.4000 E94 ",
2960 "angle 45 63 59 1.4670 108.8240 E94 ",
2961 "angle 45 63 64 0.9400 122.7250 E94 ",
2962 "angle 45 63 66 1.1640 116.1570 E94 ",
2963 "angle 56 63 66 0.8750 134.8880 E94 ",
2964 "angdel 57 63 66 0.9450 123.2460 E94 ",
2965 "angle 58 63 64 0.9650 122.5220 E94 ",
2966 "angle 59 63 64 1.0350 110.1080 C94 ",
2967 "angle 59 63 66 1.1810 115.5920 C94 ",
2968 "angle 62 63 66 0.9760 128.6620 E94 ",
2969 "angdel 63 63 64 0.7760 129.4990 E94 ",
2970 "angdel 63 63 66 0.9290 124.6890 E94 ",
2971 "angle 66 63 72 0.9110 129.6100 E94 ",
2972 "angle 1 64 63 0.7760 128.0410 E94 ",
2973 "angle 1 64 64 0.7660 128.0610 E94 ",
2974 "angle 1 64 65 0.9630 120.6400 E94 ",
2975 "angle 1 64 66 0.9520 120.6850 E94 ",
2976 "angle 1 64 81 1.0500 114.7350 E94 ",
2977 "angle 1 64 82 1.0130 117.4140 E94 ",
2978 "angdel 2 64 63 0.8610 122.9470 E94 ",
2979 "angdel 2 64 64 0.8160 125.4330 E94 ",
2980 "angdel 2 64 65 0.9070 125.7810 E94 ",
2981 "angdel 2 64 66 1.0100 118.5400 E94 ",
2982 "angdel 2 64 82 0.9230 124.4730 E94 ",
2983 "angdel 3 64 63 0.8280 124.8900 E94 ",
2984 "angdel 3 64 64 0.7740 128.2860 E94 ",
2985 "angdel 3 64 65 0.9730 120.9540 E94 ",
2986 "angdel 3 64 66 0.9490 121.8210 E94 ",
2987 "angdel 3 64 81 0.9950 118.7540 E94 ",
2988 "angdel 4 64 63 0.8450 123.8890 E94 ",
2989 "angdel 4 64 64 0.8040 126.1310 E94 ",
2990 "angdel 4 64 65 1.0360 117.4010 E94 ",
2991 "angdel 4 64 66 1.0100 118.2540 E94 ",
2992 "angle 5 64 63 0.5010 126.1700 C94 ",
2993 "angle 5 64 64 0.5460 127.4050 C94 ",
2994 "angle 5 64 65 0.6640 118.4120 C94 ",
2995 "angle 5 64 66 0.6990 120.4780 C94 ",
2996 "angle 5 64 78 0.4820 127.3310 E94 ",
2997 "angle 5 64 81 0.6050 120.0000 #E94 ",
2998 "angle 5 64 82 0.5970 122.0000 #E94 ",
2999 "angle 6 64 63 1.1120 120.9850 E94 ",
3000 "angle 6 64 64 1.0430 123.9220 E94 ",
3001 "angle 6 64 65 1.3480 115.5060 E94 ",
3002 "angle 6 64 66 1.1560 123.8900 E94 ",
3003 "angdel 9 64 64 0.9590 120.9240 E94 ",
3004 "angdel 9 64 65 1.0980 119.5290 E94 ",
3005 "angdel 9 64 66 1.0130 123.7430 E94 ",
3006 "angle 10 64 63 0.9370 123.6950 E94 ",
3007 "angle 10 64 64 0.8930 125.7350 E94 ",
3008 "angle 10 64 65 1.0160 124.7880 E94 ",
3009 "angle 10 64 66 1.0650 121.1250 E94 ",
3010 "angle 12 64 63 0.8450 126.2590 E94 ",
3011 "angle 12 64 64 0.8690 124.0580 E94 ",
3012 "angle 12 64 65 1.0200 120.1980 E94 ",
3013 "angle 12 64 66 0.9710 122.9000 E94 ",
3014 "angle 13 64 63 0.8450 123.0040 E94 ",
3015 "angle 13 64 64 0.8830 120.1110 E94 ",
3016 "angle 15 64 63 0.8700 124.5810 E94 ",
3017 "angle 15 64 64 0.8820 123.3090 E94 ",
3018 "angle 15 64 65 1.0080 121.0490 E94 ",
3019 "angle 15 64 66 0.9900 121.8260 E94 ",
3020 "angle 18 64 65 1.0650 118.4040 E94 ",
3021 "angle 18 64 66 1.0670 118.0020 E94 ",
3022 "angle 37 64 63 0.9060 117.9660 C94 ",
3023 "angle 37 64 64 0.8540 136.0870 C94 ",
3024 "angdel 37 64 64 0.7720 128.6730 E94 ",
3025 "angle 37 64 65 0.7990 134.8440 E94 ",
3026 "angdel 37 64 65 0.9420 122.8660 E94 ",
3027 "angle 37 64 66 0.8450 130.3370 E94 ",
3028 "angle 37 64 78 0.7060 135.4320 E94 ",
3029 "angle 37 64 81 0.9170 124.8560 E94 ",
3030 "angle 37 64 82 0.9460 123.6840 E94 ",
3031 "angdel 37 64 82 1.0000 119.0860 E94 ",
3032 "angle 38 64 63 0.9880 121.2420 E94 ",
3033 "angle 38 64 64 0.8580 129.0140 E94 ",
3034 "angle 38 64 65 0.9890 127.3350 E94 ",
3035 "angle 38 64 66 1.0220 124.4540 E94 ",
3036 "angle 39 64 64 1.0860 114.3120 E94 ",
3037 "angle 39 64 65 1.0600 122.4810 E94 ",
3038 "angdel 39 64 65 1.2040 114.1880 E94 ",
3039 "angdel 39 64 66 1.1700 115.1570 E94 ",
3040 "angle 40 64 63 0.9480 123.5380 E94 ",
3041 "angle 40 64 64 0.9280 123.8530 E94 ",
3042 "angle 40 64 65 0.9580 129.1250 E94 ",
3043 "angle 40 64 81 1.0350 123.1540 E94 ",
3044 "angle 40 64 82 1.1830 115.9340 E94 ",
3045 "angle 43 64 63 0.8850 126.7490 E94 ",
3046 "angle 43 64 64 0.8980 124.8760 E94 ",
3047 "angle 43 64 65 1.0240 123.7060 E94 ",
3048 "angle 43 64 66 1.0170 123.4090 E94 ",
3049 "angle 45 64 63 0.9810 120.0630 E94 ",
3050 "angle 45 64 64 0.9210 123.0140 E94 ",
3051 "angle 45 64 65 1.2760 110.5210 E94 ",
3052 "angle 45 64 66 1.1990 113.3710 E94 ",
3053 "angle 55 64 64 0.9070 124.4050 E94 ",
3054 "angle 55 64 65 1.0020 125.2200 E94 ",
3055 "angdel 57 64 65 1.0200 117.9500 E94 ",
3056 "angdel 57 64 66 0.9590 121.0170 E94 ",
3057 "angle 58 64 63 1.0750 115.6460 E94 ",
3058 "angle 58 64 64 0.8150 131.8120 E94 ",
3059 "angle 58 64 66 0.9780 126.5620 E94 ",
3060 "angle 62 64 64 0.8850 126.5600 E94 ",
3061 "angle 62 64 65 1.0730 121.7030 E94 ",
3062 "angle 63 64 64 0.8660 108.2390 C94 ",
3063 "angdel 63 64 64 0.8270 124.5840 E94 ",
3064 "angle 63 64 66 1.0380 111.6210 C94 ",
3065 "angle 63 64 78 1.1720 105.1760 E94 ",
3066 "angle 63 64 81 1.1640 110.8950 E94 ",
3067 "angle 63 64 82 1.3950 101.9020 E94 ",
3068 "angle 64 64 64 0.9670 115.0370 E94 ",
3069 "angle 64 64 65 0.9160 113.5700 C94 ",
3070 "angdel 64 64 66 1.0030 118.0670 E94 ",
3071 "angle 64 64 78 1.1940 103.4790 E94 ",
3072 "angle 64 64 82 1.2100 108.5530 E94 ",
3073 "angle 65 64 66 1.0550 115.3690 C94 ",
3074 "angle 65 64 81 1.1680 116.2400 E94 ",
3075 "angle 66 64 66 0.9320 129.6240 E94 ",
3076 "angle 39 65 64 1.7380 101.5500 C94 ",
3077 "angle 39 65 66 1.5890 106.3600 C94 ",
3078 "angle 39 65 82 1.7400 101.2080 E94 ",
3079 "angle 44 65 64 1.4300 103.8290 C94 ",
3080 "angle 44 65 66 1.3660 110.5520 E94 ",
3081 "angle 44 65 78 1.4190 104.2130 E94 ",
3082 "angle 59 65 64 1.7880 103.4520 C94 ",
3083 "angle 59 65 81 1.7740 104.8720 E94 ",
3084 "angle 63 66 64 1.2060 103.7790 C94 ",
3085 "angle 63 66 66 1.4060 106.7350 C94 ",
3086 "angle 63 66 78 1.3390 105.3650 E94 ",
3087 "angle 63 66 81 1.4080 106.8060 E94 ",
3088 "angle 64 66 65 1.7090 107.6580 C94 ",
3089 "angle 65 66 66 1.9320 111.3060 C94 ",
3090 "angle 1 67 3 0.9820 120.6830 E94 ",
3091 "angle 1 67 9 1.1780 115.5810 E94 ",
3092 "angle 1 67 32 1.2330 119.5890 E94 ",
3093 "angle 1 67 67 1.2570 111.5740 E94 ",
3094 "angdel 2 67 32 1.1180 126.3200 E94 ",
3095 "angdel 2 67 67 1.2310 113.4380 E94 ",
3096 "angle 3 67 23 0.5670 128.0000 #E94 ",
3097 "angle 3 67 32 1.2900 120.9450 E94 ",
3098 "angdel 3 67 37 1.1220 113.6310 E94 ",
3099 "angdel 9 67 30 1.1420 118.8990 E94 ",
3100 "angle 9 67 32 1.3250 125.5310 E94 ",
3101 "angdel 9 67 37 1.1860 115.9790 E94 ",
3102 "angle 23 67 32 0.8050 120.0000 #E94 ",
3103 "angdel 30 67 32 1.3700 114.8540 E94 ",
3104 "angdel 32 67 37 1.2400 120.0190 E94 ",
3105 "angle 32 67 67 1.5040 117.3270 E94 ",
3106 "angdel 37 67 67 1.3100 110.0170 E94 ",
3107 "angle 1 68 1 1.1590 108.2380 C94 ",
3108 "angle 1 68 23 0.7720 107.2000 C94 ",
3109 "angle 1 68 32 0.9580 110.7570 C94 ",
3110 "angle 23 68 23 0.6500 104.8920 C94 ",
3111 "angle 23 68 32 0.6590 112.9770 C94 ",
3112 "angle 32 69 37 1.1230 121.7770 C94 ",
3113 "angle 32 69 38 1.4860 117.2170 E94 ",
3114 "angle 37 69 37 1.2230 116.4470 C94 ",
3115 "angle 38 69 38 1.1220 125.9300 E94 ",
3116 "angle 37 69 100 1.1230 121.7700 BPH",
3117 "angle 31 70 31 0.6580 103.9780 C94 ",
3118 "angle 1 73 32 1.5900 100.1800 X94 ",
3119 "angle 1 73 72 1.4810 96.1660 X94 ",
3120 "angle 32 73 32 1.6650 115.0120 X94 ",
3121 "angle 32 73 72 1.3260 115.1340 X94 ",
3122 "angle 3 74 7 1.3570 113.0100 X94 ",
3123 "angle 1 75 3 1.1380 96.7790 E94 ",
3124 "angle 3 75 19 1.0440 91.9700 E94 ",
3125 "angle 3 75 71 0.7290 95.8990 X94 ",
3126 "angle 76 76 76 1.4340 109.8890 X94 ",
3127 "angle 76 76 78 1.4930 103.5190 X94 ",
3128 "angle 78 76 78 1.2350 109.4210 E94 ",
3129 "angle 32 77 32 1.6520 109.4720 X94 ",
3130 "angle 1 78 78 0.7440 130.9600 E94 ",
3131 "angle 1 78 81 0.9380 121.4770 E94 ",
3132 "angdel 3 78 78 0.8270 125.4680 E94 ",
3133 "angdel 3 78 81 0.9220 123.7480 E94 ",
3134 "angle 5 78 76 0.5840 123.4070 X94 ",
3135 "angle 5 78 78 0.5460 128.0000 C94 ",
3136 "angle 5 78 79 0.6170 122.0000 #E94 ",
3137 "angle 5 78 81 0.5420 109.8810 C94 ",
3138 "angdel 9 78 78 0.8630 129.5010 E94 ",
3139 "angdel 9 78 81 0.9910 125.8570 E94 ",
3140 "angle 37 78 76 0.7700 137.2820 E94 ",
3141 "angle 37 78 78 0.8030 128.2490 E94 ",
3142 "angle 37 78 81 0.8640 128.7140 E94 ",
3143 "angle 38 78 78 0.8440 130.6170 E94 ",
3144 "angle 38 78 81 1.0230 123.5320 E94 ",
3145 "angle 39 78 64 0.7340 138.7140 E94 ",
3146 "angle 39 78 78 1.2020 109.4260 E94 ",
3147 "angle 40 78 76 0.9300 130.1500 E94 ",
3148 "angle 40 78 78 0.7780 135.7460 E94 ",
3149 "angle 40 78 81 1.0580 121.2510 E94 ",
3150 "angle 44 78 63 0.6770 141.9020 E94 ",
3151 "angle 44 78 64 0.6630 142.5890 E94 ",
3152 "angle 44 78 66 0.8160 134.7010 E94 ",
3153 "angle 44 78 78 1.0890 111.7020 E94 ",
3154 "angle 45 78 76 1.1990 114.4670 E94 ",
3155 "angle 45 78 78 0.9150 125.0500 E94 ",
3156 "angle 45 78 81 1.2160 112.9260 E94 ",
3157 "angle 59 78 64 0.9630 128.4710 E94 ",
3158 "angle 59 78 65 1.0970 128.3750 E94 ",
3159 "angle 59 78 78 1.4430 105.9160 E94 ",
3160 "angle 63 78 64 0.9420 117.7790 E94 ",
3161 "angle 64 78 65 0.8350 131.5300 E94 ",
3162 "angle 64 78 78 1.0380 111.8340 E94 ",
3163 "angle 66 78 78 1.0300 118.3760 E94 ",
3164 "angle 76 78 76 1.2450 113.1790 X94 ",
3165 "angle 76 78 78 1.1590 111.9000 E94 ",
3166 "angle 78 78 78 1.3360 99.4590 E94 ",
3167 "angle 78 78 81 1.3020 105.1300 C94 ",
3168 "angle 79 78 81 1.2170 114.7920 E94 ",
3169 "angle 78 79 81 1.5690 102.0430 E94 ",
3170 "angle 79 79 81 1.6250 104.8570 E94 ",
3171 "angle 1 80 81 0.8640 127.1470 E94 ",
3172 "angdel 3 80 81 0.8860 128.1810 E94 ",
3173 "angle 5 80 81 0.6510 125.6820 C94 ",
3174 "angle 18 80 81 1.0320 120.8690 E94 ",
3175 "angle 41 80 81 0.9090 125.0570 E94 ",
3176 "angle 44 80 55 0.9180 127.7550 E94 ",
3177 "angle 44 80 81 1.1840 112.4110 E94 ",
3178 "angle 55 80 59 1.2540 120.2630 E94 ",
3179 "angle 55 80 81 0.9910 127.6120 E94 ",
3180 "angle 56 80 81 1.0030 126.0380 E94 ",
3181 "angle 59 80 81 1.4390 112.0300 E94 ",
3182 "angle 81 80 81 1.2050 108.6090 C94 ",
3183 "angle 1 81 63 0.9960 120.1290 E94 ",
3184 "angle 1 81 64 0.9780 119.9700 E94 ",
3185 "angle 1 81 78 0.8790 126.5350 E94 ",
3186 "angle 1 81 79 1.1440 116.1130 E94 ",
3187 "angle 1 81 80 0.8950 126.3240 E94 ",
3188 "angdel 2 81 78 0.9270 125.0800 E94 ",
3189 "angdel 2 81 80 0.8950 128.3990 E94 ",
3190 "angdel 9 81 78 1.0150 124.2700 E94 ",
3191 "angdel 9 81 80 1.1060 120.0280 E94 ",
3192 "angle 36 81 64 0.5220 130.2950 E94 ",
3193 "angle 36 81 66 0.5830 128.7380 E94 ",
3194 "angle 36 81 78 0.5780 124.6580 C94 ",
3195 "angle 36 81 80 0.5750 124.7870 C94 ",
3196 "angle 37 81 64 0.9290 122.4080 E94 ",
3197 "angdel 37 81 64 0.9830 119.7220 E94 ",
3198 "angle 37 81 65 1.1840 114.1580 E94 ",
3199 "angdel 37 81 65 1.2810 110.4770 E94 ",
3200 "angdel 37 81 78 0.8840 126.2080 E94 ",
3201 "angdel 37 81 80 0.9400 123.3330 E94 ",
3202 "angle 63 81 64 1.1150 114.9450 E94 ",
3203 "angle 64 81 65 1.0750 122.0990 E94 ",
3204 "angle 64 81 80 1.1430 113.1760 E94 ",
3205 "angle 66 81 80 1.0670 122.2500 E94 ",
3206 "angle 78 81 80 0.9570 110.5560 C94 ",
3207 "angle 79 81 80 1.3790 107.9360 E94 ",
3208 "angle 32 82 59 1.6660 114.6600 E94 ",
3209 "angle 32 82 64 1.0750 131.7060 E94 ",
3210 "angle 32 82 65 1.2380 129.2930 E94 ",
3211 "angle 59 82 64 1.5630 105.6600 E94 ",
3212 "angle 64 82 65 1.2810 112.9550 E94 ",
3213 "angle 64 82 65 1.2810 112.9550 E94 ",
3214 "angle 69 100 374 0.3000 133.0000 BPH",
3215 "angle 25 101 374 0.3000 155.0000 BPH",
3216 //
3217 //
3218 /*
3219 ##
3220 ## Stretch Bend interactions
3221 ##
3222 ##
3223 */
3224 "strbnd 1 1 1 0.2060 0.2060 0.000 0 C94 ",
3225 "strbnd 1 1 2 0.1360 0.1970 0.000 0 C94 ",
3226 "strbnd 1 1 3 0.2110 0.0920 0.000 0 C94 ",
3227 "strbnd 1 1 5 0.2270 0.0700 0.000 0 C94 ",
3228 "strbnd 1 1 6 0.1730 0.4170 0.000 0 C94 ",
3229 "strbnd 1 1 8 0.1360 0.2820 0.000 0 C94 ",
3230 "strbnd 1 1 10 0.1870 0.3380 0.000 0 C94 ",
3231 "strbnd 1 1 11 0.2090 0.6330 0.000 0 C94 ",
3232 "strbnd 1 1 12 0.1760 0.3860 0.000 0 C94 ",
3233 "strbnd 1 1 15 0.1390 0.2170 0.000 0 C94 ",
3234 "strbnd 1 1 34 0.2360 0.4360 0.000 0 C94 ",
3235 "strbnd 1 1 37 0.1520 0.2600 0.000 0 C94 ",
3236 "strbnd 1 1 39 0.1440 0.5950 0.000 0 C94 ",
3237 "strbnd 1 1 41 0.1220 0.0510 0.000 0 C94 ",
3238 "strbnd 1 1 56 0.2620 0.4510 0.000 0 C94 ",
3239 "strbnd 1 1 68 0.1860 0.1250 0.000 0 C94 ",
3240 "strbnd 2 1 2 0.2820 0.2820 0.000 0 C94 ",
3241 "strbnd 2 1 3 0.2060 0.0220 0.000 0 C94 ",
3242 "strbnd 2 1 5 0.2340 0.0880 0.000 0 C94 ",
3243 "strbnd 2 1 6 0.1830 0.3870 0.000 0 C94 ",
3244 "strbnd 2 1 8 0.2140 0.3630 0.000 0 C94 ",
3245 "strbnd 3 1 5 0.1570 0.1150 0.000 0 C94 ",
3246 "strbnd 3 1 6 -0.0360 0.4560 0.000 0 C94 ",
3247 "strbnd 3 1 10 0.0380 0.1950 0.000 0 C94 ",
3248 "strbnd 5 1 5 0.1150 0.1150 0.000 0 C94 ",
3249 "strbnd 5 1 6 0.0130 0.4360 0.000 0 C94 ",
3250 "strbnd 5 1 8 0.0270 0.3580 0.000 0 C94 ",
3251 "strbnd 5 1 9 0.0400 0.4180 0.000 0 C94 ",
3252 "strbnd 5 1 10 0.0430 0.2610 0.000 0 C94 ",
3253 "strbnd 5 1 11 0.0030 0.4520 0.000 0 C94 ",
3254 "strbnd 5 1 12 -0.0180 0.3800 0.000 0 C94 ",
3255 "strbnd 5 1 15 0.0180 0.2550 0.000 0 C94 ",
3256 "strbnd 5 1 18 0.1210 0.2180 0.000 0 X94 ",
3257 "strbnd 5 1 20 0.0690 0.3270 0.000 0 C94 ",
3258 "strbnd 5 1 22 0.0550 0.2670 0.000 0 X94 ",
3259 "strbnd 5 1 34 -0.0030 0.3420 0.000 0 C94 ",
3260 "strbnd 5 1 37 0.0740 0.2870 0.000 0 C94 ",
3261 "strbnd 5 1 39 0.0920 0.6070 0.000 0 C94 ",
3262 "strbnd 5 1 40 0.0230 0.3350 0.000 0 C94 ",
3263 "strbnd 5 1 41 0.0930 0.1180 0.000 0 C94 ",
3264 "strbnd 5 1 54 0.0160 0.3430 0.000 0 C94 ",
3265 "strbnd 5 1 55 0.0300 0.3970 0.000 0 C94 ",
3266 "strbnd 5 1 56 0.0310 0.3840 0.000 0 C94 ",
3267 "strbnd 5 1 68 0.0410 0.2160 0.000 0 C94 ",
3268 "strbnd 6 1 6 0.3200 0.3200 0.000 0 C94 ",
3269 "strbnd 6 1 37 0.3100 0.1600 0.000 0 C94 ",
3270 "strbnd 11 1 11 0.5860 0.5860 0.000 0 C94 ",
3271 "strbnd 12 1 12 0.5080 0.5080 0.000 0 C94 ",
3272 "strbnd 1 2 1 0.2500 0.2500 0.000 0 C94 ",
3273 "strbnd 1 2 2 0.2030 0.2070 0.000 0 C94 ",
3274 "strbnd 1 2 2 0.2220 0.2690 0.000 2 C94 ",
3275 "strbnd 1 2 3 0.2440 0.2920 0.000 2 C94 ",
3276 "strbnd 1 2 5 0.2150 0.1280 0.000 0 C94 ",
3277 "strbnd 1 2 37 0.2460 0.2600 0.000 2 C94 ",
3278 "strbnd 2 2 2 0.2500 0.2190 0.000 1 C94 ",
3279 "strbnd 2 2 3 0.1550 0.1120 0.000 2 C94 ",
3280 "strbnd 2 2 5 0.2070 0.1570 0.000 0 C94 ",
3281 "strbnd 2 2 5 0.2670 0.1590 0.000 1 C94 ",
3282 "strbnd 2 2 6 0.1180 0.5760 0.000 0 C94 ",
3283 "strbnd 2 2 37 0.1430 0.1720 0.000 2 C94 ",
3284 "strbnd 2 2 40 0.2890 0.3900 0.000 0 C94 ",
3285 "strbnd 2 2 41 0.1910 -0.0470 0.000 0 C94 ",
3286 "strbnd 3 2 5 0.2640 0.1560 0.000 1 C94 ",
3287 "strbnd 5 2 5 0.1400 0.1400 0.000 0 C94 ",
3288 "strbnd 5 2 6 0.2130 0.5020 0.000 0 C94 ",
3289 "strbnd 5 2 37 0.1530 0.2880 0.000 2 C94 ",
3290 "strbnd 5 2 40 0.0700 0.4630 0.000 0 C94 ",
3291 "strbnd 5 2 41 0.1910 0.0050 0.000 0 C94 ",
3292 "strbnd 1 3 1 0.3580 0.3580 0.000 0 C94 ",
3293 "strbnd 1 3 2 0.2460 0.4090 0.000 2 C94 ",
3294 "strbnd 1 3 3 0.3030 0.1450 0.000 2 C94 ",
3295 "strbnd 1 3 5 0.3210 0.1830 0.000 0 C94 ",
3296 "strbnd 1 3 6 0.3380 0.7320 0.000 0 C94 ",
3297 "strbnd 1 3 7 0.1540 0.8560 0.000 0 C94 ",
3298 "strbnd 1 3 10 0.2230 0.7320 0.000 0 C94 ",
3299 "strbnd 1 3 37 0.2170 0.2070 0.000 2 C94 ",
3300 "strbnd 2 3 5 0.4070 0.1590 0.000 1 C94 ",
3301 "strbnd 2 3 6 0.4290 0.4730 0.000 1 C94 ",
3302 "strbnd 2 3 7 0.2140 0.7940 0.000 1 C94 ",
3303 "strbnd 2 3 9 0.2270 0.6100 0.000 1 C94 ",
3304 "strbnd 2 3 10 0.2980 0.6000 0.000 1 C94 ",
3305 "strbnd 3 3 5 0.2510 0.1330 0.000 1 C94 ",
3306 "strbnd 3 3 6 0.0660 0.6680 0.000 1 C94 ",
3307 "strbnd 3 3 7 -0.0930 0.8660 0.000 1 C94 ",
3308 "strbnd 5 3 5 0.1260 0.1260 0.000 0 C94 ",
3309 "strbnd 5 3 6 0.1740 0.7340 0.000 0 C94 ",
3310 "strbnd 5 3 7 0.0320 0.8050 0.000 0 C94 ",
3311 "strbnd 5 3 9 0.0370 0.6690 0.000 0 C94 ",
3312 "strbnd 5 3 10 0.1690 0.6190 0.000 0 C94 ",
3313 "strbnd 5 3 40 0.0870 0.6850 0.000 0 C94 ",
3314 "strbnd 5 3 54 0.0980 0.2100 0.000 0 C94 ",
3315 "strbnd 6 3 7 0.4940 0.5780 0.000 0 C94 ",
3316 "strbnd 6 3 20 1.1790 0.7520 0.000 4 X94 ",
3317 "strbnd 6 3 37 0.3500 0.1750 0.000 2 C94 ",
3318 "strbnd 7 3 10 0.7710 0.3530 0.000 0 C94 ",
3319 "strbnd 7 3 20 0.8650 -0.1810 0.000 0 C94 ",
3320 "strbnd 7 3 37 0.7070 0.0070 0.000 2 C94 ",
3321 "strbnd 9 3 40 0.6800 0.2600 0.000 0 C94 ",
3322 "strbnd 10 3 10 1.0500 1.0500 0.000 0 C94 ",
3323 "strbnd 20 3 20 0.5360 0.5360 0.000 4 C94 ",
3324 "strbnd 40 3 40 0.4820 0.4820 0.000 0 C94 ",
3325 "strbnd 1 6 1 0.3090 0.3090 0.000 0 C94 ",
3326 "strbnd 1 6 2 0.1570 0.3750 0.000 0 C94 ",
3327 "strbnd 1 6 3 -0.1530 0.2520 0.000 0 C94 ",
3328 "strbnd 1 6 21 0.2560 0.1430 0.000 0 C94 ",
3329 "strbnd 1 6 37 0.1630 0.3750 0.000 0 C94 ",
3330 "strbnd 2 6 3 -0.2280 0.0520 0.000 0 C94 ",
3331 "strbnd 2 6 29 0.2590 0.1630 0.000 0 C94 ",
3332 "strbnd 3 6 20 0.4560 0.3790 0.000 4 X94 ",
3333 "strbnd 3 6 24 0.2150 0.0640 0.000 0 C94 ",
3334 "strbnd 3 6 37 -0.2250 -0.3200 0.000 0 C94 ",
3335 "strbnd 8 6 21 0.3040 0.0550 0.000 0 C94 ",
3336 "strbnd 10 6 21 0.4190 0.1580 0.000 0 C94 ",
3337 "strbnd 18 6 33 0.3090 0.1200 0.000 0 X94 ",
3338 "strbnd 20 6 20 0.7390 0.7390 0.000 4 C94 ",
3339 "strbnd 29 6 37 0.1300 0.2410 0.000 0 C94 ",
3340 "strbnd 31 6 31 0.2270 0.2270 0.000 0 X94 ",
3341 "strbnd 1 8 1 0.3120 0.3120 0.000 0 C94 ",
3342 "strbnd 1 8 6 0.2120 0.3540 0.000 0 C94 ",
3343 "strbnd 1 8 23 0.3090 0.1350 0.000 0 C94 ",
3344 "strbnd 6 8 23 0.4180 0.0200 0.000 0 C94 ",
3345 "strbnd 20 8 20 0.6530 0.6530 0.000 4 C94 ",
3346 "strbnd 20 8 23 0.1280 0.1220 0.000 0 C94 ",
3347 "strbnd 23 8 23 0.1900 0.1900 0.000 0 C94 ",
3348 "strbnd 1 9 3 0.3260 0.5800 0.000 0 C94 ",
3349 "strbnd 3 9 27 0.4640 0.2220 0.000 0 C94 ",
3350 "strbnd 1 10 1 0.0630 0.0630 0.000 0 C94 ",
3351 "strbnd 1 10 3 -0.0210 0.3400 0.000 0 C94 ",
3352 "strbnd 1 10 6 -0.0240 0.3740 0.000 0 C94 ",
3353 "strbnd 1 10 28 0.1550 -0.0510 0.000 0 C94 ",
3354 "strbnd 3 10 3 -0.2190 -0.2190 0.000 0 C94 ",
3355 "strbnd 3 10 6 0.4970 0.5130 0.000 0 C94 ",
3356 "strbnd 3 10 28 0.1370 0.0660 0.000 0 C94 ",
3357 "strbnd 28 10 28 0.0810 0.0810 0.000 0 C94 ",
3358 "strbnd 1 15 1 0.1250 0.1250 0.000 0 C94 ",
3359 "strbnd 1 15 15 0.0120 0.2380 0.000 0 C94 ",
3360 "strbnd 1 15 37 0.0480 0.2290 0.000 0 C94 ",
3361 "strbnd 1 15 71 0.0800 -0.0120 0.000 0 C94 ",
3362 "strbnd 15 15 71 0.1720 -0.0680 0.000 0 C94 ",
3363 "strbnd 37 15 71 0.1870 -0.0270 0.000 0 C94 ",
3364 "strbnd 71 15 71 0.0450 0.0450 0.000 0 C94 ",
3365 "strbnd 1 18 1 0.0230 0.0230 0.000 0 X94 ",
3366 "strbnd 1 18 6 0.0030 0.2130 0.000 0 X94 ",
3367 "strbnd 1 18 32 -0.0910 0.3900 0.000 0 X94 ",
3368 "strbnd 1 18 43 -0.0080 0.6070 0.000 0 X94 ",
3369 "strbnd 6 18 6 0.0880 0.0880 0.000 0 X94 ",
3370 "strbnd 6 18 32 0.1230 0.3690 0.000 0 X94 ",
3371 "strbnd 32 18 32 0.4040 0.4040 0.000 0 X94 ",
3372 "strbnd 32 18 43 0.3840 0.2810 0.000 0 X94 ",
3373 "strbnd 43 18 43 0.4280 0.4280 0.000 0 X94 ",
3374 "strbnd 1 20 5 0.2900 0.0980 0.000 0 C94 ",
3375 "strbnd 1 20 20 0.1790 0.0040 0.000 0 C94 ",
3376 "strbnd 3 20 5 -0.0490 0.1710 0.000 0 C94 ",
3377 "strbnd 3 20 20 0.6070 0.4370 0.000 4 C94 ",
3378 "strbnd 5 20 5 0.1820 0.1820 0.000 0 C94 ",
3379 "strbnd 5 20 6 0.0510 0.3120 0.000 0 C94 ",
3380 "strbnd 5 20 8 0.0720 0.2260 0.000 0 C94 ",
3381 "strbnd 5 20 12 0.0140 0.5970 0.000 0 C94 ",
3382 "strbnd 5 20 20 0.1010 0.0790 0.000 0 C94 ",
3383 "strbnd 5 20 30 0.1080 0.1230 0.000 0 C94 ",
3384 "strbnd 6 20 20 0.8230 0.3960 0.000 4 C94 ",
3385 "strbnd 8 20 20 0.7010 0.3690 0.000 4 C94 ",
3386 "strbnd 12 20 20 0.3100 0.0000 0.000 0 C94 ",
3387 "strbnd 20 20 20 0.2830 0.2830 0.000 4 C94 ",
3388 "strbnd 20 20 30 0.3400 0.5290 0.000 4 C94 ",
3389 "strbnd 1 22 5 0.0670 0.1740 0.000 0 X94 ",
3390 "strbnd 1 22 22 0.1990 0.0390 0.000 0 X94 ",
3391 "strbnd 5 22 5 0.2540 0.2540 0.000 0 C94 ",
3392 "strbnd 5 22 22 0.1810 0.1080 0.000 0 C94 ",
3393 "strbnd 22 22 22 0.0000 0.0000 0.000 5 C94 ",
3394 "strbnd 5 26 5 -0.1210 -0.1210 0.000 0 X94 ",
3395 "strbnd 5 30 20 0.2510 0.0070 0.000 0 C94 ",
3396 "strbnd 5 30 30 0.2670 0.0540 0.000 0 C94 ",
3397 "strbnd 20 30 30 0.4130 0.7050 0.000 4 C94 ",
3398 "strbnd 1 34 1 0.2020 0.2020 0.000 0 C94 ",
3399 "strbnd 1 34 36 0.1600 -0.0090 0.000 0 C94 ",
3400 "strbnd 36 34 36 0.0870 0.0870 0.000 0 C94 ",
3401 "strbnd 1 37 37 0.4850 0.3110 0.000 0 C94 ",
3402 "strbnd 2 37 37 0.3210 0.2350 0.000 1 C94 ",
3403 "strbnd 3 37 37 0.1790 0.2170 0.000 1 C94 ",
3404 "strbnd 5 37 37 0.2790 0.2500 0.000 0 C94 ",
3405 "strbnd 5 37 38 0.2670 0.3890 0.000 0 C94 ",
3406 "strbnd 5 37 63 0.2160 0.4340 0.000 0 C94 ",
3407 "strbnd 5 37 64 0.1670 0.3640 0.000 0 C94 ",
3408 "strbnd 5 37 69 0.2730 0.3910 0.000 0 C94 ",
3409 "strbnd 6 37 37 0.8300 0.3390 0.000 0 C94 ",
3410 "strbnd 15 37 37 0.6500 0.2590 0.000 0 C94 ",
3411 "strbnd 37 37 37 -0.4110 -0.4110 0.000 0 C94 ",
3412 "strbnd 37 37 38 -0.4240 -0.4660 0.000 0 C94 ",
3413 "strbnd 37 37 40 0.4290 0.9010 0.000 0 C94 ",
3414 "strbnd 37 37 63 -0.1730 -0.2150 0.000 0 C94 ",
3415 "strbnd 37 37 64 -0.2290 -0.2290 0.000 0 C94 ",
3416 "strbnd 37 37 69 -0.2440 -0.5550 0.000 0 C94 ",
3417 "strbnd 38 37 38 -0.5160 -0.5160 0.000 0 C94 ",
3418 "strbnd 37 38 37 -0.3420 -0.3420 0.000 0 C94 ",
3419 "strbnd 37 38 38 -0.1640 -1.1300 0.000 0 C94 ",
3420 "strbnd 1 39 63 0.3130 0.5000 0.000 0 C94 ",
3421 "strbnd 23 39 63 -0.1310 0.4220 0.000 0 C94 ",
3422 "strbnd 23 39 65 -0.1220 0.2810 0.000 0 C94 ",
3423 "strbnd 63 39 63 0.4690 0.4690 0.000 0 C94 ",
3424 "strbnd 63 39 65 0.7410 0.5060 0.000 0 C94 ",
3425 "strbnd 65 39 65 0.7060 0.7060 0.000 0 C94 ",
3426 "strbnd 1 40 28 0.2380 0.0910 0.000 0 C94 ",
3427 "strbnd 1 40 37 0.1530 0.5900 0.000 0 C94 ",
3428 "strbnd 2 40 28 0.3420 0.1560 0.000 0 C94 ",
3429 "strbnd 3 40 28 0.2280 0.1040 0.000 0 C94 ",
3430 "strbnd 28 40 28 0.0940 0.0940 0.000 0 C94 ",
3431 "strbnd 28 40 37 0.1860 0.4230 0.000 0 C94 ",
3432 "strbnd 1 41 32 0.5030 0.9430 0.000 0 C94 ",
3433 "strbnd 2 41 32 0.5940 0.9690 0.000 0 C94 ",
3434 "strbnd 5 41 32 0.2760 0.8520 0.000 0 C94 ",
3435 "strbnd 32 41 32 0.6520 0.6520 0.000 0 C94 ",
3436 "strbnd 18 43 23 0.3770 0.0570 0.000 0 X94 ",
3437 "strbnd 23 43 23 0.0820 0.0820 0.000 0 X94 ",
3438 "strbnd 63 44 63 0.5910 0.5910 0.000 0 C94 ",
3439 "strbnd 63 44 65 0.8570 0.9780 0.000 0 C94 ",
3440 "strbnd 50 49 50 0.0720 0.0720 0.000 0 C94 ",
3441 "strbnd 1 54 3 0.1920 -0.0510 0.000 0 C94 ",
3442 "strbnd 1 54 36 0.2400 0.0790 0.000 0 C94 ",
3443 "strbnd 3 54 36 0.0050 0.1270 0.000 0 C94 ",
3444 "strbnd 36 54 36 0.1480 0.1480 0.000 0 C94 ",
3445 "strbnd 1 55 36 0.1890 0.0330 0.000 0 C94 ",
3446 "strbnd 1 55 57 0.1660 0.2110 0.000 0 C94 ",
3447 "strbnd 36 55 36 0.1060 0.1060 0.000 0 C94 ",
3448 "strbnd 36 55 57 0.0930 0.0800 0.000 0 C94 ",
3449 "strbnd 1 56 36 0.2110 -0.0400 0.000 0 C94 ",
3450 "strbnd 1 56 57 0.0260 0.3860 0.000 0 C94 ",
3451 "strbnd 36 56 36 0.1010 0.1010 0.000 0 C94 ",
3452 "strbnd 36 56 57 0.1080 0.0680 0.000 0 C94 ",
3453 "strbnd 5 57 55 0.0430 0.4200 0.000 0 C94 ",
3454 "strbnd 55 57 55 0.1250 0.1250 0.000 0 C94 ",
3455 "strbnd 56 57 56 0.4310 0.4310 0.000 0 C94 ",
3456 "strbnd 58 57 58 0.7320 0.7320 0.000 0 C94 ",
3457 "strbnd 63 59 63 0.4970 0.4970 0.000 0 C94 ",
3458 "strbnd 63 59 65 0.7230 0.8740 0.000 0 C94 ",
3459 "strbnd 5 63 39 0.0090 0.6540 0.000 0 C94 ",
3460 "strbnd 5 63 44 -0.0150 0.4460 0.000 0 C94 ",
3461 "strbnd 5 63 59 0.0670 0.5880 0.000 0 C94 ",
3462 "strbnd 5 63 64 0.0550 0.3700 0.000 0 C94 ",
3463 "strbnd 5 63 66 0.1100 0.4640 0.000 0 C94 ",
3464 "strbnd 37 63 39 0.1780 0.5230 0.000 0 C94 ",
3465 "strbnd 37 63 64 -0.0450 0.4970 0.000 0 C94 ",
3466 "strbnd 39 63 64 0.4220 0.4090 0.000 0 C94 ",
3467 "strbnd 39 63 66 0.4360 0.5250 0.000 0 C94 ",
3468 "strbnd 44 63 64 0.5810 0.4260 0.000 0 C94 ",
3469 "strbnd 44 63 66 0.5420 0.3650 0.000 0 C94 ",
3470 "strbnd 59 63 64 0.8520 0.3320 0.000 0 C94 ",
3471 "strbnd 59 63 66 0.7750 0.3000 0.000 0 C94 ",
3472 "strbnd 5 64 63 0.0860 0.3450 0.000 0 C94 ",
3473 "strbnd 5 64 64 0.0850 0.3690 0.000 0 C94 ",
3474 "strbnd 5 64 65 0.0510 0.4360 0.000 0 C94 ",
3475 "strbnd 5 64 66 0.1130 0.4520 0.000 0 C94 ",
3476 "strbnd 37 64 63 0.0590 0.2990 0.000 0 C94 ",
3477 "strbnd 37 64 64 0.2770 0.3770 0.000 0 C94 ",
3478 "strbnd 63 64 64 0.2060 0.0300 0.000 0 C94 ",
3479 "strbnd 63 64 66 0.1710 0.0780 0.000 0 C94 ",
3480 "strbnd 64 64 65 0.0790 0.4030 0.000 0 C94 ",
3481 "strbnd 65 64 66 0.4060 0.0660 0.000 0 C94 ",
3482 "strbnd 39 65 64 0.5280 0.6440 0.000 0 C94 ",
3483 "strbnd 39 65 66 0.3970 0.2580 0.000 0 C94 ",
3484 "strbnd 44 65 64 0.8160 0.5430 0.000 0 C94 ",
3485 "strbnd 59 65 64 1.1770 0.5940 0.000 0 C94 ",
3486 "strbnd 63 66 64 0.2130 -0.1730 0.000 0 C94 ",
3487 "strbnd 63 66 66 0.2340 0.0770 0.000 0 C94 ",
3488 "strbnd 64 66 65 -0.1490 0.3830 0.000 0 C94 ",
3489 "strbnd 65 66 66 0.1990 0.1010 0.000 0 C94 ",
3490 "strbnd 1 68 1 0.2170 0.2170 0.000 0 C94 ",
3491 "strbnd 1 68 23 0.2850 0.0500 0.000 0 C94 ",
3492 "strbnd 1 68 32 -0.0470 0.5030 0.000 0 C94 ",
3493 "strbnd 23 68 23 0.1450 0.1450 0.000 0 C94 ",
3494 "strbnd 23 68 32 -0.1820 0.5040 0.000 0 C94 ",
3495 "strbnd 32 69 37 1.0180 0.4180 0.000 0 C94 ",
3496 "strbnd 37 69 37 -0.1690 -0.1690 0.000 0 C94 ",
3497 "strbnd 31 70 31 0.2100 0.2100 0.000 0 C94 ",
3498 "strbnd 5 78 78 0.2790 0.2500 0.000 0 C94 ",
3499 "strbnd 5 78 81 0.0830 0.2500 0.000 0 C94 ",
3500 "strbnd 78 78 81 -0.3980 0.3140 0.000 0 C94 ",
3501 "strbnd 5 80 81 -0.1010 0.6910 0.000 0 C94 ",
3502 "strbnd 81 80 81 0.7320 0.7320 0.000 0 C94 ",
3503 "strbnd 36 81 78 0.0210 0.3680 0.000 0 C94 ",
3504 "strbnd 36 81 80 0.0180 0.4220 0.000 0 C94 ",
3505 "strbnd 78 81 80 0.3660 0.4190 0.000 0 C94 ",
3506 "strbnd 78 81 80 0.3660 0.4190 0.000 0 C94 ",
3507 "strbnd 69 100 374 0.0000 0.0000 0.000 0 BPH",
3508 "strbnd 25 101 374 0.0000 0.0000 0.000 0 BPH",
3509 //
3510 // ##
3511 // ## Out of plane bends
3512 // ##
3513 //
3514 //
3515 "opbend 1 2 1 2 0.0300 C94 ",
3516 "opbend 1 2 2 2 0.0270 C94 ",
3517 "opbend 1 2 2 3 0.0260 C94 ",
3518 "opbend 1 2 2 5 0.0130 C94 ",
3519 "opbend 1 2 2 37 0.0320 C94 ",
3520 "opbend 2 2 2 5 0.0130 C94 ",
3521 "opbend 2 2 3 5 0.0120 C94 ",
3522 "opbend 2 2 5 5 0.0060 C94 ",
3523 "opbend 2 2 5 6 0.0270 C94 ",
3524 "opbend 2 2 5 37 0.0170 C94 ",
3525 "opbend 2 2 5 40 0.0120 C94 ",
3526 "opbend 2 2 5 41 0.0080 C94 ",
3527 "opbend 1 3 1 7 0.1460 C94 ",
3528 "opbend 1 3 2 7 0.1380 C94 ",
3529 "opbend 1 3 3 7 0.1340 C94 ",
3530 "opbend 1 3 5 7 0.1220 C94 ",
3531 "opbend 1 3 6 7 0.1410 C94 ",
3532 "opbend 1 3 7 10 0.1290 C94 ",
3533 "opbend 1 3 7 37 0.1380 C94 ",
3534 "opbend 2 3 5 7 0.1130 C94 ",
3535 "opbend 2 3 5 9 0.0810 C94 ",
3536 "opbend 2 3 6 7 0.1270 C94 ",
3537 "opbend 2 3 7 10 0.1160 C94 ",
3538 "opbend 3 3 5 7 0.1130 C94 ",
3539 "opbend 3 3 6 7 0.1270 C94 ",
3540 "opbend 5 3 5 7 0.1030 C94 ",
3541 "opbend 5 3 5 9 0.0740 C94 ",
3542 "opbend 5 3 5 54 0.0780 C94 ",
3543 "opbend 5 3 6 7 0.1190 C94 ",
3544 "opbend 5 3 7 10 0.1020 C94 ",
3545 "opbend 5 3 9 40 0.0670 C94 ",
3546 "opbend 6 3 7 37 0.1270 C94 ",
3547 "opbend 7 3 10 10 0.1130 C94 ",
3548 "opbend 7 3 20 20 0.1510 C94 ",
3549 "opbend 9 3 40 40 0.0570 C94 ",
3550 "opbend 1 10 1 3 -0.0200 #C94 ",
3551 "opbend 1 10 3 6 -0.0330 C94 ",
3552 "opbend 1 10 3 28 -0.0200 #C94 ",
3553 "opbend 3 10 3 28 -0.0300 C94 ",
3554 "opbend 3 10 28 28 -0.0190 C94 ",
3555 "opbend 5 30 20 30 0.0080 C94 ",
3556 "opbend 1 37 37 37 0.0400 C94 ",
3557 "opbend 2 37 37 37 0.0310 C94 ",
3558 "opbend 3 37 37 37 0.0270 C94 ",
3559 "opbend 5 37 37 37 0.0150 C94 ",
3560 "opbend 5 37 37 38 0.0460 C94 ",
3561 "opbend 5 37 37 63 0.0080 C94 ",
3562 "opbend 5 37 37 64 0.0120 C94 ",
3563 "opbend 5 37 37 69 0.0160 C94 ",
3564 "opbend 5 37 38 38 0.0840 C94 ",
3565 "opbend 6 37 37 37 0.0480 C94 ",
3566 "opbend 15 37 37 37 0.0250 C94 ",
3567 "opbend 37 37 37 40 0.0460 C94 ",
3568 "opbend 1 39 63 63 0.0120 C94 ",
3569 "opbend 23 39 63 63 -0.0140 C94 ",
3570 "opbend 23 39 63 65 0.0210 C94 ",
3571 "opbend 23 39 65 65 0.0620 C94 ",
3572 "opbend 1 40 28 37 -0.0060 C94 ",
3573 "opbend 2 40 28 28 -0.0070 C94 ",
3574 "opbend 3 40 28 28 -0.0070 C94 ",
3575 "opbend 28 40 28 37 0.0040 C94 ",
3576 "opbend 1 41 32 32 0.1780 C94 ",
3577 "opbend 2 41 32 32 0.1610 C94 ",
3578 "opbend 5 41 32 32 0.1580 C94 ",
3579 "opbend 50 49 50 50 0.0000 #C94 ",
3580 "opbend 1 54 3 36 0.0160 C94 ",
3581 "opbend 3 54 36 36 0.0180 C94 ",
3582 "opbend 1 55 36 57 0.0200 #C94 ",
3583 "opbend 36 55 36 57 0.0200 #C94 ",
3584 "opbend 1 56 36 57 0.0200 #C94 ",
3585 "opbend 36 56 36 57 0.0200 #C94 ",
3586 "opbend 5 57 55 55 0.0380 C94 ",
3587 "opbend 56 57 56 56 0.1580 C94 ",
3588 "opbend 5 63 39 64 0.0190 C94 ",
3589 "opbend 5 63 39 66 0.0680 C94 ",
3590 "opbend 5 63 44 64 0.0140 C94 ",
3591 "opbend 5 63 44 66 0.0550 C94 ",
3592 "opbend 5 63 59 64 0.0330 C94 ",
3593 "opbend 5 63 59 66 0.0850 C94 ",
3594 "opbend 37 63 39 64 0.0100 C94 ",
3595 "opbend 5 64 63 64 0.0060 C94 ",
3596 "opbend 5 64 63 66 0.0430 C94 ",
3597 "opbend 5 64 64 65 0.0520 C94 ",
3598 "opbend 5 64 65 66 0.0940 C94 ",
3599 "opbend 37 64 63 64 -0.0110 C94 ",
3600 "opbend 32 69 37 37 0.0670 C94 ",
3601 "opbend 5 78 78 81 0.0460 C94 ",
3602 "opbend 5 80 81 81 0.0570 C94 ",
3603 "opbend 36 81 78 80 0.0160 C94 ",
3604 "opbend 0 2 0 0 0.0200 *-2-*-* ",
3605 "opbend 0 3 0 0 0.1300 *-3-*-* ",
3606 "opbend 0 10 0 0 -0.0200 *-10-*-* ",
3607 "opbend 0 30 0 0 0.0100 *-30-*-* ",
3608 "opbend 0 37 0 0 0.0350 *-37-*-* ",
3609 "opbend 0 39 0 0 0.0200 *-39-*-* ",
3610 "opbend 0 40 0 0 -0.0050 *-40-*-* ",
3611 "opbend 0 41 0 0 0.1800 *-41-*-* ",
3612 "opbend 0 45 0 0 0.1500 *-45-*-* ",
3613 "opbend 0 54 0 0 0.0200 *-54-*-* ",
3614 "opbend 0 55 0 0 0.0200 *-55-*-* ",
3615 "opbend 0 56 0 0 0.0200 *-56-*-* ",
3616 "opbend 0 57 0 0 0.0800 *-57-*-* ",
3617 "opbend 0 58 0 0 0.0250 *-58-*-* ",
3618 "opbend 0 63 0 0 0.0500 *-63-*-* ",
3619 "opbend 0 64 0 0 0.0400 *-64-*-* ",
3620 "opbend 0 67 0 0 0.0700 *-67-*-* ",
3621 "opbend 0 69 0 0 0.0700 *-69-*-* ",
3622 "opbend 0 78 0 0 0.0450 *-78-*-* ",
3623 "opbend 0 80 0 0 0.0800 *-80-*-* ",
3624 "opbend 0 81 0 0 0.0250 *-81-*-* ",
3625 //
3626 //
3627 /*
3628 ########################################
3629 ## ##
3630 ## Torsions ##
3631 ## ##
3632 ########################################
3633 */
3634 //
3635 //
3636 "torsion 1 1 1 1 0.1030 +1 0.6810 -2 0.3320 +3 C94 ",
3637 "torsion5 1 1 1 1 0.1440 +1 -0.5470 -2 1.1260 +3 C94 ",
3638 "torsion 1 1 1 2 -0.2950 +1 0.4380 -2 0.5840 +3 C94 ",
3639 "torsion 1 1 1 3 0.0660 +1 -0.1560 -2 0.1430 +3 C94 ",
3640 "torsion 1 1 1 5 0.6390 +1 -0.6300 -2 0.2640 +3 C94 ",
3641 "torsion 1 1 1 6 -0.6880 +1 1.7570 -2 0.4770 +3 C94 ",
3642 "torsion5 1 1 1 6 0.0000 +1 0.0000 -2 0.0540 +3 C94 ",
3643 "torsion 1 1 1 8 -1.4200 +1 -0.0920 -2 1.1010 +3 C94 ",
3644 "torsion5 1 1 1 8 0.0000 +1 -0.1580 -2 0.3230 +3 C94 ",
3645 "torsion 1 1 1 11 0.5930 +1 0.6620 -2 1.1200 +3 C94 ",
3646 "torsion 1 1 1 12 -0.6780 +1 0.4170 -2 0.6240 +3 C94 ",
3647 "torsion 1 1 1 15 -0.7140 +1 0.6980 -2 0.0000 +3 C94 ",
3648 "torsion 1 1 1 34 -0.6470 +1 0.5500 -2 0.5900 +3 C94 ",
3649 "torsion 2 1 1 5 0.3210 +1 -0.4110 -2 0.1440 +3 C94 ",
3650 "torsion 3 1 1 3 0.4430 +1 0.0000 -2 -1.1400 +3 C94 ",
3651 "torsion 3 1 1 5 -0.2560 +1 0.0580 -2 0.0000 +3 C94 ",
3652 "torsion 3 1 1 6 -0.6790 +1 -0.0290 -2 0.0000 +3 C94 ",
3653 "torsion 5 1 1 5 0.2840 +1 -1.3860 -2 0.3140 +3 C94 ",
3654 "torsion 5 1 1 6 -0.6540 +1 1.0720 -2 0.2790 +3 C94 ",
3655 "torsion 5 1 1 8 -0.7440 +1 -1.2350 -2 0.3370 +3 C94 ",
3656 "torsion 5 1 1 10 0.0000 +1 0.0000 -2 0.4270 +3 C94 ",
3657 "torsion 5 1 1 11 0.0000 +1 0.5160 -2 0.2910 +3 C94 ",
3658 "torsion 5 1 1 12 0.6780 +1 -0.6020 -2 0.3980 +3 C94 ",
3659 "torsion 5 1 1 15 1.1420 +1 -0.6440 -2 0.3670 +3 C94 ",
3660 "torsion 5 1 1 25 0.0000 +1 0.0000 -2 0.2950 +3 X94 ",
3661 "torsion 5 1 1 34 0.6920 +1 -0.5300 -2 0.2780 +3 C94 ",
3662 "torsion 5 1 1 37 0.0000 +1 0.0000 -2 0.3890 +3 C94 ",
3663 "torsion 5 1 1 39 0.0000 +1 0.0000 -2 0.2780 +3 C94 ",
3664 "torsion 5 1 1 41 0.0000 +1 0.0000 -2 -0.1410 +3 C94 ",
3665 "torsion 5 1 1 56 0.0000 +1 0.0000 -2 0.3240 +3 C94 ",
3666 "torsion 5 1 1 68 0.0000 +1 0.0000 -2 0.1360 +3 C94 ",
3667 "torsion 6 1 1 6 0.4080 +1 1.3970 -2 0.9610 +3 C94 ",
3668 "torsion5 6 1 1 6 0.3130 +1 -1.0350 -2 1.6310 +3 C94 ",
3669 "torsion 8 1 1 8 1.0550 +1 0.8340 -2 0.0000 +3 C94 ",
3670 "torsion 11 1 1 11 -0.3870 +1 -0.5430 -2 1.4050 +3 C94 ",
3671 "torsion 12 1 1 12 0.0000 +1 0.0000 -2 0.8930 +3 C94 ",
3672 "torsion 15 1 1 15 -0.1770 +1 0.0000 -2 0.0490 +3 C94 ",
3673 "torsion 1 1 2 1 0.4190 +1 0.2960 -2 0.2820 +3 C94 ",
3674 "torsion 1 1 2 2 -0.4940 +1 0.2740 -2 -0.6300 +3 C94 ",
3675 "torsion 1 1 2 5 0.0750 +1 0.0000 -2 0.3580 +3 C94 ",
3676 "torsion 2 1 2 2 -0.2930 +1 0.1150 -2 -0.5080 +3 C94 ",
3677 "torsion 2 1 2 5 0.3010 +1 0.1040 -2 0.5070 +3 C94 ",
3678 "torsion 3 1 2 1 0.5650 +1 -0.5540 -2 0.2340 +3 C94 ",
3679 "torsion 3 1 2 2 -0.5770 +1 -0.4820 -2 -0.4270 +3 C94 ",
3680 "torsion 3 1 2 5 0.0820 +1 0.0000 -2 0.1230 +3 C94 ",
3681 "torsion 5 1 2 1 0.0000 +1 -0.1840 -2 0.2200 +3 C94 ",
3682 "torsion 5 1 2 2 0.5010 +1 -0.4100 -2 -0.5350 +3 C94 ",
3683 "torsion 5 1 2 5 -0.5230 +1 -0.2280 -2 0.2080 +3 C94 ",
3684 "torsion 6 1 2 1 -0.4670 +1 0.0000 -2 0.4900 +3 C94 ",
3685 "torsion 6 1 2 2 0.4250 +1 0.1680 -2 -0.8750 +3 C94 ",
3686 "torsion 6 1 2 5 0.0000 +1 0.1360 -2 0.3960 +3 C94 ",
3687 "torsion 8 1 2 1 -0.5040 +1 0.3710 -2 0.5570 +3 C94 ",
3688 "torsion 8 1 2 2 0.5410 +1 0.5390 -2 -1.0090 +3 C94 ",
3689 "torsion 8 1 2 5 0.0000 +1 0.2040 -2 0.4640 +3 C94 ",
3690 "torsion 1 1 3 1 0.1030 +1 0.1770 -2 0.5450 +3 C94 ",
3691 "torsion 1 1 3 5 -0.0720 +1 0.3160 -2 0.6740 +3 C94 ",
3692 "torsion 1 1 3 6 -0.1170 +1 -0.3330 -2 0.2020 +3 C94 ",
3693 "torsion 1 1 3 7 0.8250 +1 0.1390 -2 0.3250 +3 C94 ",
3694 "torsion 1 1 3 10 -0.9270 +1 1.1120 -2 1.3880 +3 C94 ",
3695 "torsion 2 1 3 5 0.6630 +1 -0.1670 -2 0.4260 +3 C94 ",
3696 "torsion 2 1 3 7 -0.7580 +1 0.1120 -2 0.5630 +3 C94 ",
3697 "torsion 5 1 3 1 -0.0730 +1 0.0850 -2 0.5310 +3 C94 ",
3698 "torsion 5 1 3 5 -0.8220 +1 0.5010 -2 1.0080 +3 C94 ",
3699 "torsion 5 1 3 6 0.0000 +1 -0.6240 -2 0.3300 +3 C94 ",
3700 "torsion 5 1 3 7 0.6590 +1 -1.4070 -2 0.3080 +3 C94 ",
3701 "torsion 5 1 3 10 -0.4120 +1 0.6930 -2 0.0870 +3 C94 ",
3702 "torsion 5 1 3 43 0.0000 +1 1.0270 -2 0.3600 +3 X94 ",
3703 "torsion 5 1 3 51 0.0000 +1 1.5430 -2 0.3500 +3 X94 ",
3704 "torsion 5 1 3 53 0.0000 +1 0.5010 -2 0.0000 +3 X94 ",
3705 "torsion 5 1 3 74 0.0000 +1 0.5130 -2 -0.3440 +3 X94 ",
3706 "torsion 5 1 3 75 0.0000 +1 0.5110 -2 -0.1860 +3 X94 ",
3707 "torsion 6 1 3 6 0.4470 +1 0.6520 -2 0.3180 +3 C94 ",
3708 "torsion 6 1 3 7 -0.3950 +1 0.7300 -2 -0.1390 +3 C94 ",
3709 "torsion 10 1 3 7 0.3380 +1 2.7720 -2 2.1450 +3 C94 ",
3710 "torsion 10 1 3 10 0.5480 +1 0.0000 -2 1.7950 +3 C94 ",
3711 "torsion 1 1 6 1 -0.6810 +1 0.7550 -2 0.7550 +3 C94 ",
3712 "torsion5 1 1 6 1 0.0000 +1 0.2430 -2 -0.5960 +3 C94 ",
3713 "torsion 1 1 6 3 -0.5470 +1 0.0000 -2 0.3200 +3 C94 ",
3714 "torsion 1 1 6 21 0.0000 +1 0.2700 -2 0.2370 +3 C94 ",
3715 "torsion 2 1 6 21 0.1020 +1 0.4600 -2 -0.1280 +3 C94 ",
3716 "torsion 3 1 6 21 -1.6520 +1 -1.6600 -2 0.2830 +3 C94 ",
3717 "torsion 5 1 6 1 0.5710 +1 0.3190 -2 0.5700 +3 C94 ",
3718 "torsion 5 1 6 2 0.0000 +1 0.0000 -2 0.3060 +3 C94 ",
3719 "torsion 5 1 6 3 0.5720 +1 0.0000 -2 -0.3040 +3 C94 ",
3720 "torsion 5 1 6 21 0.5960 +1 -0.2760 -2 0.3460 +3 C94 ",
3721 "torsion 5 1 6 25 0.0000 +1 0.0000 -2 0.0610 +3 X94 ",
3722 "torsion 5 1 6 37 0.0000 +1 0.0000 -2 0.1060 +3 C94 ",
3723 "torsion 5 1 6 45 0.0000 +1 0.0000 -2 -0.1740 +3 X94 ",
3724 "torsion 6 1 6 1 0.2290 +1 -0.7100 -2 0.7220 +3 C94 ",
3725 "torsion5 6 1 6 1 0.0000 +1 0.0000 -2 0.0400 +3 C94 ",
3726 "torsion 6 1 6 21 1.4880 +1 -3.4010 -2 -0.3200 +3 C94 ",
3727 "torsion 37 1 6 21 0.7120 +1 1.3200 -2 -0.5070 +3 C94 ",
3728 "torsion 1 1 8 1 -0.4390 +1 0.7860 -2 0.2720 +3 C94 ",
3729 "torsion5 1 1 8 1 0.1150 +1 -0.3900 -2 0.6580 +3 C94 ",
3730 "torsion 1 1 8 6 -0.6080 +1 0.3390 -2 1.4960 +3 C94 ",
3731 "torsion 1 1 8 23 -0.4280 +1 0.3230 -2 0.2800 +3 C94 ",
3732 "torsion 2 1 8 23 0.5940 +1 -0.4090 -2 0.1550 +3 C94 ",
3733 "torsion 5 1 8 1 0.3930 +1 -0.3850 -2 0.5620 +3 C94 ",
3734 "torsion 5 1 8 6 0.5980 +1 -0.1580 -2 0.3990 +3 C94 ",
3735 "torsion 5 1 8 23 -0.1520 +1 -0.4400 -2 0.3570 +3 C94 ",
3736 "torsion 5 1 9 3 0.2040 +1 -0.3350 -2 -0.3520 +3 C94 ",
3737 "torsion 5 1 9 53 0.0000 +1 0.0000 -2 0.0970 +3 X94 ",
3738 "torsion 1 1 10 3 -1.0270 +1 0.6940 -2 0.9480 +3 C94 ",
3739 "torsion 1 1 10 6 0.1590 +1 -0.5520 -2 0.1980 +3 C94 ",
3740 "torsion 1 1 10 28 0.5520 +1 -0.3800 -2 0.3260 +3 C94 ",
3741 "torsion 3 1 10 3 3.1000 +1 -2.5290 -2 1.4940 +3 C94 ",
3742 "torsion 3 1 10 28 0.0790 +1 0.2800 -2 0.4020 +3 C94 ",
3743 "torsion 5 1 10 1 0.0000 +1 0.0000 -2 0.7790 +3 C94 ",
3744 "torsion 5 1 10 3 -2.0990 +1 1.3630 -2 0.0210 +3 C94 ",
3745 "torsion 5 1 10 6 -0.1620 +1 0.8320 -2 0.5520 +3 C94 ",
3746 "torsion 5 1 10 28 -0.6160 +1 0.0000 -2 0.2740 +3 C94 ",
3747 "torsion 1 1 15 1 -1.0470 +1 0.1700 -2 0.3980 +3 C94 ",
3748 "torsion 1 1 15 15 -1.4380 +1 0.2630 -2 0.5010 +3 C94 ",
3749 "torsion 1 1 15 71 -0.3760 +1 -0.1330 -2 0.2880 +3 C94 ",
3750 "torsion 5 1 15 1 1.1430 +1 -0.2310 -2 0.4470 +3 C94 ",
3751 "torsion 5 1 15 15 1.5550 +1 -0.3230 -2 0.4560 +3 C94 ",
3752 "torsion 5 1 15 37 0.0000 +1 0.0000 -2 0.4590 +3 C94 ",
3753 "torsion 5 1 15 71 0.2290 +1 0.2030 -2 0.4400 +3 C94 ",
3754 "torsion 5 1 17 1 0.0000 +1 0.0000 -2 0.5360 +3 X94 ",
3755 "torsion 5 1 17 7 0.0000 +1 0.0000 -2 0.2120 +3 X94 ",
3756 "torsion 5 1 18 1 0.0000 +1 0.0000 -2 0.0000 +3 X94 ",
3757 "torsion 5 1 18 6 0.0000 +1 0.0000 -2 0.0990 +3 X94 ",
3758 "torsion 5 1 18 32 0.0000 +1 0.5850 -2 0.3880 +3 X94 ",
3759 "torsion 5 1 18 43 0.0000 +1 -0.4120 -2 0.1210 +3 X94 ",
3760 "torsion 5 1 18 48 0.0000 +1 0.0000 -2 0.1950 +3 X94 ",
3761 "torsion 5 1 18 62 0.0000 +1 0.0000 -2 -0.0880 +3 X94 ",
3762 "torsion 5 1 19 5 0.0000 +1 0.0000 -2 0.1960 +3 X94 ",
3763 "torsion 5 1 19 6 0.0000 +1 0.0000 -2 0.1760 +3 X94 ",
3764 "torsion 5 1 19 12 0.0000 +1 0.0000 -2 0.1520 +3 X94 ",
3765 "torsion 5 1 20 5 0.0000 +1 0.0000 -2 0.3440 +3 C94 ",
3766 "torsion 5 1 20 20 0.0000 +1 0.0000 -2 0.3610 +3 C94 ",
3767 "torsion 1 1 25 1 0.0000 +1 -0.2070 -2 0.2320 +3 X94 ",
3768 "torsion 1 1 25 32 0.0000 +1 0.2880 -2 0.2180 +3 X94 ",
3769 "torsion 5 1 25 1 0.0000 +1 0.1520 -2 0.2350 +3 X94 ",
3770 "torsion 5 1 25 6 0.0000 +1 0.0000 -2 0.4950 +3 X94 ",
3771 "torsion 5 1 25 32 0.0000 +1 -0.1300 -2 0.2140 +3 X94 ",
3772 "torsion 5 1 25 43 0.0000 +1 0.0000 -2 0.4660 +3 X94 ",
3773 "torsion 5 1 25 72 0.0000 +1 0.0000 -2 0.2430 +3 X94 ",
3774 "torsion 5 1 26 12 0.0000 +1 0.0000 -2 0.4390 +3 X94 ",
3775 "torsion 5 1 26 71 0.0000 +1 0.0000 -2 0.4720 +3 X94 ",
3776 "torsion 1 1 34 36 0.0000 +1 0.0000 -2 0.1870 +3 C94 ",
3777 "torsion 5 1 34 1 0.0000 +1 0.0000 -2 0.2470 +3 C94 ",
3778 "torsion 5 1 34 36 0.0000 +1 0.0000 -2 0.2590 +3 C94 ",
3779 "torsion 1 1 37 37 0.0000 +1 0.4490 -2 0.0000 +3 C94 ",
3780 "torsion 5 1 37 37 0.0000 +1 -0.4200 -2 0.3910 +3 C94 ",
3781 "torsion 6 1 37 37 0.0000 +1 0.0000 -2 0.1500 +3 C94 ",
3782 "torsion 1 1 39 63 0.0000 +1 -0.0800 -2 -0.0560 +3 C94 ",
3783 "torsion 5 1 39 63 0.0000 +1 0.0000 -2 -0.1130 +3 C94 ",
3784 "torsion 5 1 40 28 0.0000 +1 -0.0970 -2 0.2030 +3 C94 ",
3785 "torsion 5 1 40 37 0.0000 +1 0.0000 -2 0.3290 +3 C94 ",
3786 "torsion 1 1 41 32 0.0000 +1 1.2630 -2 0.0000 +3 C94 ",
3787 "torsion 5 1 41 32 0.0000 +1 0.0000 -2 -0.1060 +3 C94 ",
3788 "torsion 5 1 41 72 0.0000 +1 0.6320 -2 0.0000 +3 X94 ",
3789 "torsion 5 1 43 18 0.3570 +1 -0.9180 -2 0.0000 +3 X94 ",
3790 "torsion 5 1 43 25 0.0000 +1 0.0000 -2 0.0610 +3 X94 ",
3791 "torsion 5 1 43 28 -0.2490 +1 0.3820 -2 0.3430 +3 X94 ",
3792 "torsion 5 1 45 32 0.0000 +1 0.0000 -2 0.1250 +3 X94 ",
3793 "torsion 5 1 46 7 0.0000 +1 0.0000 -2 -0.5400 +3 X94 ",
3794 "torsion 5 1 54 3 0.0000 +1 0.0000 -2 -0.3150 +3 C94 ",
3795 "torsion 5 1 54 36 0.0000 +1 0.0000 -2 0.3150 +3 C94 ",
3796 "torsion 5 1 55 36 0.0000 +1 -0.0580 -2 0.0840 +3 C94 ",
3797 "torsion 5 1 55 57 0.0000 +1 -0.0580 -2 -0.0920 +3 C94 ",
3798 "torsion 1 1 56 36 0.8750 +1 0.6680 -2 -0.0150 +3 C94 ",
3799 "torsion 1 1 56 57 -0.8700 +1 0.7750 -2 -0.4060 +3 C94 ",
3800 "torsion 5 1 56 36 -0.9580 +1 -0.6290 -2 -0.3720 +3 C94 ",
3801 "torsion 5 1 56 57 0.9520 +1 -0.7150 -2 -0.4830 +3 C94 ",
3802 "torsion 5 1 62 18 0.0000 +1 0.0000 -2 0.2700 +3 X94 ",
3803 "torsion 1 1 68 1 -0.1170 +1 0.0900 -2 0.7510 +3 C94 ",
3804 "torsion 1 1 68 23 0.3730 +1 0.1530 -2 0.6350 +3 C94 ",
3805 "torsion 1 1 68 32 -0.0900 +1 -0.1690 -2 0.0750 +3 C94 ",
3806 "torsion 5 1 68 1 0.1340 +1 -0.1120 -2 0.3290 +3 C94 ",
3807 "torsion 5 1 68 23 -0.3610 +1 -0.2020 -2 0.5600 +3 C94 ",
3808 "torsion 5 1 68 32 0.0720 +1 0.2180 -2 0.0930 +3 C94 ",
3809 "torsion 5 1 73 32 0.0000 +1 0.0000 -2 0.5090 +3 X94 ",
3810 "torsion 5 1 73 72 0.0000 +1 0.0000 -2 0.4430 +3 X94 ",
3811 "torsion 1 2 2 1 -0.4030 +1 12.0000 -2 0.0000 +3 C94 ",
3812 "torsion 1 2 2 2 0.0000 +1 12.0000 -2 0.0000 +3 C94 ",
3813 "torsion 1 2 2 5 0.0000 +1 12.0000 -2 0.0000 +3 C94 ",
3814 "torsion 2 2 2 5 0.0000 +1 12.0000 -2 0.0000 +3 C94 ",
3815 "torsion 3 2 2 5 0.0000 +1 12.0000 -2 0.0000 +3 C94 ",
3816 "torsion 5 2 2 5 0.0000 +1 12.0000 -2 0.0000 +3 C94 ",
3817 "torsion 5 2 2 6 0.0000 +1 12.0000 -2 0.0000 +3 C94 ",
3818 "torsion 5 2 2 37 0.0000 +1 12.0000 -2 0.0000 +3 C94 ",
3819 "torsion 5 2 2 40 0.0000 +1 12.0000 -2 0.0000 +3 C94 ",
3820 "torsion 5 2 2 41 0.0000 +1 12.0000 -2 0.0000 +3 C94 ",
3821 "torsion 5 2 2 45 0.0000 +1 12.0000 -2 0.0000 +3 X94 ",
3822 "torsion 5 2 2 62 0.0000 +1 12.0000 -2 0.0000 +3 X94 ",
3823 "torsion 2 2 6 1 -1.9530 +1 3.9530 -2 -1.0550 +3 C94 ",
3824 "torsion 2 2 6 3 -1.7120 +1 2.5960 -2 -0.3300 +3 C94 ",
3825 "torsion 2 2 6 29 -0.2150 +1 2.8100 -2 -0.4560 +3 C94 ",
3826 "torsion 5 2 6 1 1.9510 +1 3.9360 -2 1.1300 +3 C94 ",
3827 "torsion 5 2 6 3 1.7190 +1 2.6280 -2 0.3600 +3 C94 ",
3828 "torsion 5 2 6 29 0.2160 +1 2.8080 -2 0.4560 +3 C94 ",
3829 "torsion 2 2 40 28 0.0000 +1 3.7560 -2 -0.5300 +3 C94 ",
3830 "torsion 5 2 40 28 0.0730 +1 3.6980 -2 0.2910 +3 C94 ",
3831 "torsion 2 2 41 32 0.0000 +1 1.2350 -2 0.0000 +3 C94 ",
3832 "torsion 5 2 41 32 0.0000 +1 1.2310 -2 0.0000 +3 C94 ",
3833 "torsion 2 2 45 32 0.0000 +1 2.2120 -2 0.0000 +3 X94 ",
3834 "torsion 5 2 45 32 0.0000 +1 2.2250 -2 0.0000 +3 X94 ",
3835 "torsion 2 2 62 23 1.6930 +1 7.9030 -2 0.5320 +3 X94 ",
3836 "torsion 5 2 62 23 -1.6960 +1 7.8970 -2 -0.4820 +3 X94 ",
3837 "torsion 1 3 6 1 -1.2440 +1 5.4820 -2 0.3650 +3 C94 ",
3838 "torsion 1 3 6 24 -1.1660 +1 5.0780 -2 -0.5450 +3 C94 ",
3839 "torsion 1 3 6 37 -0.6770 +1 5.8540 -2 0.5210 +3 C94 ",
3840 "torsion 5 3 6 1 0.5260 +1 5.6310 -2 0.6910 +3 C94 ",
3841 "torsion 5 3 6 2 0.1590 +1 6.5860 -2 0.2160 +3 C94 ",
3842 "torsion 5 3 6 24 -2.2850 +1 4.7370 -2 0.4680 +3 C94 ",
3843 "torsion 7 3 6 1 0.6820 +1 7.1840 -2 -0.9350 +3 C94 ",
3844 "torsion 7 3 6 2 -0.1680 +1 6.5720 -2 -0.1510 +3 C94 ",
3845 "torsion 7 3 6 24 1.6620 +1 6.1520 -2 -0.0580 +3 C94 ",
3846 "torsion 7 3 6 37 0.6350 +1 5.8900 -2 -0.4460 +3 C94 ",
3847 "torsion 2 3 9 27 0.0000 +1 16.0000 -2 0.0000 +3 C94 ",
3848 "torsion 5 3 9 1 0.6870 +1 16.1520 -2 0.8940 +3 C94 ",
3849 "torsion 5 3 9 27 0.0000 +1 16.0000 -2 0.0000 +3 C94 ",
3850 "torsion 40 3 9 1 -0.7580 +1 18.2160 -2 -0.1880 +3 C94 ",
3851 "torsion 40 3 9 27 0.0000 +1 16.0000 -2 0.0000 +3 C94 ",
3852 "torsion 1 3 10 1 0.6470 +1 6.1590 -2 0.5070 +3 C94 ",
3853 "torsion 1 3 10 6 -1.0350 +1 8.7910 -2 1.4640 +3 C94 ",
3854 "torsion 1 3 10 28 -0.2940 +1 5.8050 -2 1.3420 +3 C94 ",
3855 "torsion 5 3 10 1 -0.1830 +1 6.3140 -2 1.7530 +3 C94 ",
3856 "torsion 5 3 10 3 -0.7510 +1 5.3480 -2 0.2090 +3 C94 ",
3857 "torsion 5 3 10 28 -0.3880 +1 5.9720 -2 0.4590 +3 C94 ",
3858 "torsion 7 3 10 1 -0.3190 +1 6.2940 -2 -0.1470 +3 C94 ",
3859 "torsion 7 3 10 3 0.7760 +1 -0.5850 -2 -0.1450 +3 C94 ",
3860 "torsion 7 3 10 6 1.1070 +1 8.6310 -2 -0.4520 +3 C94 ",
3861 "torsion 7 3 10 28 1.4350 +1 4.9750 -2 -0.4540 +3 C94 ",
3862 "torsion 10 3 10 28 0.0000 +1 3.4950 -2 1.2910 +3 C94 ",
3863 "torsion 7 3 20 5 0.0000 +1 0.0000 -2 -0.1310 +3 C94 ",
3864 "torsion 7 3 20 20 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
3865 "torsion 20 3 20 5 0.0000 +1 0.0000 -2 0.0850 +3 C94 ",
3866 "torsion 20 3 20 20 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
3867 "torsion 5 3 40 28 -1.4770 +1 4.3620 -2 0.9020 +3 C94 ",
3868 "torsion 9 3 40 28 1.4960 +1 4.3690 -2 -0.4170 +3 C94 ",
3869 "torsion 40 3 40 28 0.1780 +1 3.1490 -2 0.7780 +3 C94 ",
3870 "torsion 1 3 43 18 1.7120 +1 3.3090 -2 0.2330 +3 X94 ",
3871 "torsion 1 3 43 28 -0.4140 +1 4.1680 -2 -0.8750 +3 X94 ",
3872 "torsion 7 3 43 18 -0.8800 +1 5.0910 -2 -0.1290 +3 X94 ",
3873 "torsion 7 3 43 28 0.5360 +1 5.2760 -2 -0.5560 +3 X94 ",
3874 "torsion 1 3 51 52 0.0000 +1 13.5490 -2 0.0000 +3 X94 ",
3875 "torsion 5 3 54 1 0.0000 +1 8.0000 -2 0.0000 +3 C94 ",
3876 "torsion 5 3 54 36 0.0000 +1 8.0000 -2 0.0000 +3 C94 ",
3877 "torsion 1 3 74 7 0.0000 +1 19.3490 -2 0.0000 +3 X94 ",
3878 "torsion 1 3 75 71 0.0000 +1 18.7510 -2 0.0000 +3 X94 ",
3879 "torsion 21 6 8 1 0.2610 +1 -0.3300 -2 -0.5420 +3 C94 ",
3880 "torsion 21 6 8 23 1.5030 +1 -1.8530 -2 -0.4760 +3 C94 ",
3881 "torsion 21 6 10 1 0.8750 +1 0.1800 -2 -0.7330 +3 C94 ",
3882 "torsion 21 6 10 3 0.5290 +1 0.0000 -2 -1.1630 +3 C94 ",
3883 "torsion 33 6 18 1 -0.5200 +1 -0.4710 -2 -0.2670 +3 X94 ",
3884 "torsion 33 6 18 6 -1.6230 +1 0.2040 -2 0.4380 +3 X94 ",
3885 "torsion 33 6 18 32 1.6160 +1 0.4250 -2 0.1910 +3 X94 ",
3886 "torsion 21 6 19 1 -0.6200 +1 -0.3290 -2 0.3030 +3 X94 ",
3887 "torsion 21 6 19 5 0.6830 +1 0.2200 -2 0.0000 +3 X94 ",
3888 "torsion 20 6 20 5 0.0000 +1 0.0000 -2 -0.0790 +3 C94 ",
3889 "torsion4 20 6 20 20 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
3890 "torsion 1 6 25 1 -1.7040 +1 -0.4520 -2 0.5560 +3 X94 ",
3891 "torsion 1 6 25 6 0.0000 +1 0.0000 -2 0.7770 +3 X94 ",
3892 "torsion 1 6 25 32 1.2050 +1 0.9140 -2 0.6120 +3 X94 ",
3893 "torsion 24 6 25 6 -3.2090 +1 -7.6220 -2 1.0650 +3 X94 ",
3894 "torsion 24 6 25 32 -5.8910 +1 -3.3320 -2 0.2900 +3 X94 ",
3895 "torsion 1 6 37 37 0.0000 +1 4.3820 -2 0.0000 +3 C94 ",
3896 "torsion 3 6 37 37 0.0000 +1 2.5760 -2 0.0000 +3 C94 ",
3897 "torsion 29 6 37 37 0.0000 +1 2.8010 -2 0.0000 +3 C94 ",
3898 "torsion 1 6 45 32 0.0000 +1 6.2080 -2 0.0000 +3 X94 ",
3899 "torsion 20 8 20 5 0.0000 +1 0.1200 -2 0.4720 +3 C94 ",
3900 "torsion4 20 8 20 20 0.0000 +1 -0.0970 -2 0.2000 +3 C94 ",
3901 "torsion 23 8 20 5 -0.1010 +1 -0.3240 -2 0.3710 +3 C94 ",
3902 "torsion 23 8 20 20 0.1070 +1 0.2530 -2 0.1510 +3 C94 ",
3903 "torsion 3 10 37 37 0.0000 +1 3.0000 -2 0.0000 +3 BPH",
3904 "torsion 28 10 37 37 0.0000 +1 3.0000 -2 0.0000 +3 BPH",
3905 "torsion 1 15 15 1 -1.6630 +1 -8.4080 -2 1.4330 +3 C94 ",
3906 "torsion 1 15 15 71 -1.0880 +1 -8.2450 -2 0.4110 +3 C94 ",
3907 "torsion 1 15 37 37 0.0000 +1 2.1770 -2 0.0000 +3 C94 ",
3908 "torsion 71 15 37 37 0.0000 +1 0.5050 -2 0.3330 +3 C94 ",
3909 "torsion 32 18 37 37 -0.1730 +1 -0.9650 -2 -0.6100 +3 X94 ",
3910 "torsion 39 18 37 37 0.0000 +1 -0.7600 -2 0.2270 +3 X94 ",
3911 "torsion 43 18 37 37 0.2280 +1 -1.7410 -2 -0.3710 +3 X94 ",
3912 "torsion 32 18 39 63 0.0000 +1 0.6870 -2 0.6800 +3 X94 ",
3913 "torsion 37 18 39 63 0.0000 +1 -0.5130 -2 0.3570 +3 X94 ",
3914 "torsion 1 18 43 1 -0.9140 +1 -0.4820 -2 0.1790 +3 X94 ",
3915 "torsion 1 18 43 3 -0.3920 +1 -2.7240 -2 0.3120 +3 X94 ",
3916 "torsion 1 18 43 28 -1.5080 +1 -1.8160 -2 -0.1750 +3 X94 ",
3917 "torsion 1 18 43 37 0.8230 +1 -1.2200 -2 -0.7700 +3 X94 ",
3918 "torsion 32 18 43 1 1.5880 +1 1.4990 -2 1.4100 +3 X94 ",
3919 "torsion 32 18 43 3 0.6530 +1 0.2540 -2 0.0000 +3 X94 ",
3920 "torsion 32 18 43 28 0.5280 +1 0.3420 -2 0.0000 +3 X94 ",
3921 "torsion 32 18 43 37 0.8120 +1 1.5130 -2 1.2660 +3 X94 ",
3922 "torsion 37 18 43 1 -1.1390 +1 -0.7030 -2 1.0880 +3 X94 ",
3923 "torsion 37 18 43 28 -2.0140 +1 -1.6460 -2 -2.0680 +3 X94 ",
3924 "torsion 37 18 43 37 -1.5190 +1 -0.3280 -2 1.4370 +3 X94 ",
3925 "torsion 43 18 43 28 3.0110 +1 -1.4050 -2 2.0380 +3 X94 ",
3926 "torsion 1 18 48 28 1.7670 +1 1.6060 -2 0.4080 +3 X94 ",
3927 "torsion 32 18 48 28 -1.4630 +1 -2.5480 -2 0.3100 +3 X94 ",
3928 "torsion 1 18 62 1 -0.4030 +1 -0.2730 -2 0.4400 +3 X94 ",
3929 "torsion 32 18 62 1 0.2910 +1 0.3850 -2 0.5820 +3 X94 ",
3930 "torsion 1 20 20 5 0.0670 +1 0.0810 -2 0.3470 +3 C94 ",
3931 "torsion 1 20 20 20 -0.0630 +1 -0.0640 -2 0.1400 +3 C94 ",
3932 "torsion 3 20 20 5 0.0000 +1 0.0000 -2 0.0830 +3 C94 ",
3933 "torsion 3 20 20 20 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
3934 "torsion 5 20 20 5 0.0000 +1 0.0000 -2 0.4240 +3 C94 ",
3935 "torsion 5 20 20 6 0.0000 +1 0.0000 -2 -0.0800 +3 C94 ",
3936 "torsion 5 20 20 8 0.0000 +1 0.1270 -2 0.4500 +3 C94 ",
3937 "torsion 5 20 20 12 -0.0720 +1 -0.2690 -2 0.4390 +3 C94 ",
3938 "torsion 5 20 20 20 -0.0570 +1 0.0000 -2 0.3070 +3 C94 ",
3939 "torsion4 6 20 20 20 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
3940 "torsion4 8 20 20 20 0.0000 +1 -0.0910 -2 0.1920 +3 C94 ",
3941 "torsion 12 20 20 20 0.0770 +1 0.2020 -2 0.1830 +3 C94 ",
3942 "torsion4 20 20 20 20 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
3943 "torsion 1 25 43 1 -2.6860 +1 -1.5120 -2 0.5910 +3 X94 ",
3944 "torsion 1 25 43 28 -3.7300 +1 -0.5310 -2 0.0000 +3 X94 ",
3945 "torsion 32 25 43 1 2.1080 +1 1.8960 -2 0.9650 +3 X94 ",
3946 "torsion 32 25 43 28 2.9770 +1 0.7320 -2 -0.5020 +3 X94 ",
3947 "torsion 1 37 37 5 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3948 "torsion 1 37 37 37 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3949 "torsion 2 37 37 5 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3950 "torsion 2 37 37 37 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3951 "torsion 3 37 37 5 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3952 "torsion 3 37 37 37 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3953 "torsion 5 37 37 5 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3954 "torsion 5 37 37 6 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3955 "torsion 5 37 37 15 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3956 "torsion 5 37 37 18 0.0000 +1 7.0000 -2 0.0000 +3 X94 ",
3957 "torsion 5 37 37 37 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3958 "torsion 5 37 37 40 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3959 "torsion 5 37 37 43 0.0000 +1 7.0000 -2 0.0000 +3 X94 ",
3960 "torsion 6 37 37 37 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3961 "torsion 15 37 37 37 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3962 "torsion 18 37 37 37 0.0000 +1 7.0000 -2 0.0000 +3 X94 ",
3963 "torsion 37 37 37 37 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3964 "torsion 37 37 37 40 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3965 "torsion 37 37 37 43 0.0000 +1 7.0000 -2 0.0000 +3 X94 ",
3966 "torsion 37 37 40 1 0.0000 +1 4.3360 -2 0.3700 +3 C94 ",
3967 "torsion 37 37 40 28 0.7150 +1 2.6280 -2 3.3550 +3 C94 ",
3968 "torsion 37 37 43 18 0.3720 +1 2.2840 -2 2.0340 +3 X94 ",
3969 "torsion 37 37 43 28 0.0000 +1 1.6940 -2 1.5080 +3 X94 ",
3970 "torsion 1 39 63 5 0.0000 +1 4.0000 -2 0.0000 +3 C94 ",
3971 "torsion 1 39 63 64 0.0000 +1 4.0000 -2 0.0000 +3 C94 ",
3972 "torsion 18 39 63 5 0.0000 +1 4.0000 -2 0.0000 +3 X94 ",
3973 "torsion 18 39 63 64 0.0000 +1 4.0000 -2 0.0000 +3 X94 ",
3974 "torsion 63 39 63 5 0.0000 +1 4.0000 -2 0.0000 +3 C94 ",
3975 "torsion 63 39 63 64 0.0000 +1 4.0000 -2 0.0000 +3 C94 ",
3976 "torsion 1 55 57 5 0.4230 +1 12.0640 -2 0.0900 +3 C94 ",
3977 "torsion 1 55 57 55 -0.4280 +1 12.0440 -2 0.0000 +3 C94 ",
3978 "torsion 36 55 57 5 -0.2680 +1 8.0770 -2 -0.8060 +3 C94 ",
3979 "torsion 36 55 57 55 0.2730 +1 8.0250 -2 0.6920 +3 C94 ",
3980 "torsion 1 56 57 56 0.0000 +1 6.8860 -2 -0.1610 +3 C94 ",
3981 "torsion 36 56 57 56 0.0000 +1 4.6880 -2 0.1070 +3 C94 ",
3982 "torsion 5 63 64 5 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3983 "torsion 5 63 64 64 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3984 "torsion 39 63 64 5 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3985 "torsion 39 63 64 64 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3986 "torsion 5 64 64 5 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3987 "torsion 5 64 64 63 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
3988 "torsion 63 64 64 63 0.0000 +1 7.0000 -2 0.0000 +3 C94",
3989 "torsion 37 69 100 374 0.0000 +1 -0.5000 -2 0.0000 +3 BPH",
3990 "torsion 1 25 101 374 0.0000 +1 0.0000 -2 0.0000 +3 BPH",
3991 "torsion 37 25 101 374 0.0000 +1 0.0000 -2 0.0000 +3 BPH",
3992 //
3993 /*
3994 ## delocalized bond torsion parameters
3995 ## torsion ia ib ic id v1 v2 v3
3996 ## index
3997 */
3998 "torsiondel 2 5 1 2 2 0.0000 +1 0.0000 -2 0.0550 +3 C94 ",
3999 "torsiondel 2 5 1 2 3 0.0000 +1 0.0000 -2 -0.1080 +3 C94 ",
4000 "torsiondel 2 5 1 2 37 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
4001 "torsiondel 2 0 1 2 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4002 "torsiondel 2 5 1 3 2 0.0000 +1 0.0000 -2 0.1150 +3 C94 ",
4003 "torsiondel 2 5 1 3 3 0.0000 +1 0.0000 -2 0.4460 +3 C94 ",
4004 "torsiondel 2 5 1 3 37 0.0000 +1 0.0000 -2 0.0560 +3 C94 ",
4005 "torsiondel 2 0 1 3 0 0.0000 +1 0.5000 -2 0.3500 +3 C94 ",
4006 "torsiondel 2 0 1 54 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4007 "torsiondel 1 1 2 2 2 -0.4180 +1 2.0890 -2 -0.3100 +3 C94 ",
4008 "torsiondel 1 1 2 2 5 0.4120 +1 2.1200 -2 0.2690 +3 C94 ",
4009 "torsiondel 1 2 2 2 2 0.0940 +1 1.6210 -2 0.8770 +3 C94 ",
4010 "torsiondel 1 2 2 2 5 0.3170 +1 1.4210 -2 -0.8700 +3 C94 ",
4011 "torsiondel 1 5 2 2 5 -0.4060 +1 1.7670 -2 0.0000 +3 C94 ",
4012 "torsiondel 1 0 2 2 0 0.0000 +1 1.8000 -2 0.0000 +3 C94 ",
4013 "torsiondel 1 1 2 3 1 0.1360 +1 1.7980 -2 0.6300 +3 C94 ",
4014 "torsiondel 1 1 2 3 5 0.4970 +1 2.4050 -2 0.3570 +3 C94 ",
4015 "torsiondel 1 1 2 3 6 -0.2110 +1 1.9250 -2 -0.1310 +3 C94 ",
4016 "torsiondel 1 1 2 3 7 -0.4010 +1 2.0280 -2 -0.3180 +3 C94 ",
4017 "torsiondel 1 1 2 3 10 -0.0840 +1 2.2140 -2 -0.6100 +3 C94 ",
4018 "torsiondel 1 2 2 3 1 -0.3250 +1 1.5530 -2 -0.4870 +3 C94 ",
4019 "torsiondel 1 2 2 3 5 -0.2950 +1 2.0240 -2 -0.5900 +3 C94 ",
4020 "torsiondel 1 2 2 3 6 -0.1430 +1 1.4660 -2 0.0000 +3 C94 ",
4021 "torsiondel 1 2 2 3 7 0.3620 +1 1.9780 -2 0.0000 +3 C94 ",
4022 "torsiondel 1 2 2 3 9 0.2960 +1 1.5140 -2 0.4810 +3 C94 ",
4023 "torsiondel 1 2 2 3 10 0.0950 +1 1.5830 -2 0.3800 +3 C94 ",
4024 "torsiondel 1 5 2 3 1 0.2130 +1 1.7280 -2 -0.0420 +3 C94 ",
4025 "torsiondel 1 5 2 3 5 -0.2080 +1 1.6220 -2 0.2230 +3 C94 ",
4026 "torsiondel 1 5 2 3 6 0.3590 +1 1.5390 -2 0.1940 +3 C94 ",
4027 "torsiondel 1 5 2 3 7 0.0000 +1 2.0460 -2 0.0000 +3 C94 ",
4028 "torsiondel 1 5 2 3 9 -0.2900 +1 1.5190 -2 -0.4700 +3 C94 ",
4029 "torsiondel 1 5 2 3 10 0.0000 +1 1.3950 -2 0.2270 +3 C94 ",
4030 "torsiondel 1 0 2 3 0 0.0000 +1 2.5000 -2 0.0000 +3 #E94 ",
4031 "torsiondel 1 0 2 4 0 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
4032 "torsiondel 2 0 2 6 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4033 "torsiondel 1 0 2 9 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4034 "torsiondel 2 0 2 10 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4035 "torsiondel 2 0 2 15 0 0.0000 +1 1.4230 -2 0.0000 +3 E94 ",
4036 "torsiondel 2 0 2 18 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4037 "torsiondel 2 0 2 20 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4038 "torsiondel 2 0 2 22 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4039 "torsiondel 2 0 2 34 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4040 "torsiondel 1 1 2 37 37 0.0000 +1 2.9520 -2 -0.0790 +3 C94 ",
4041 "torsiondel 1 2 2 37 37 0.0000 +1 1.5420 -2 0.4340 +3 C94 ",
4042 "torsiondel 1 5 2 37 37 0.0000 +1 1.3080 -2 -0.3570 +3 C94 ",
4043 "torsiondel 1 0 2 37 0 0.0000 +1 2.0000 -2 0.0000 +3 C94 ",
4044 "torsiondel 1 0 2 39 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4045 "torsiondel 2 0 2 40 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4046 "torsiondel 2 0 2 41 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4047 "torsiondel 2 0 2 43 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4048 "torsiondel 2 0 2 45 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4049 "torsiondel 2 0 2 46 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4050 "torsiondel 1 0 2 63 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4051 "torsiondel 1 0 2 64 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4052 "torsiondel 1 0 2 67 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4053 "torsiondel 1 0 2 81 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4054 "torsiondel 1 1 3 3 1 -0.4860 +1 0.7140 -2 0.0000 +3 C94 ",
4055 "torsiondel 1 1 3 3 6 -0.0810 +1 -0.1250 -2 0.1320 +3 C94 ",
4056 "torsiondel 1 1 3 3 7 1.0530 +1 1.3270 -2 0.0000 +3 C94 ",
4057 "torsiondel 1 5 3 3 6 0.0000 +1 0.1880 -2 0.4360 +3 C94 ",
4058 "torsiondel 1 5 3 3 7 0.0000 +1 0.1770 -2 -0.4120 +3 C94 ",
4059 "torsiondel 1 6 3 3 6 0.2690 +1 0.4370 -2 0.0000 +3 C94 ",
4060 "torsiondel 1 6 3 3 7 -0.4950 +1 0.7930 -2 -0.3180 +3 C94 ",
4061 "torsiondel 1 7 3 3 7 -0.2600 +1 1.0840 -2 0.1930 +3 C94 ",
4062 "torsiondel 1 0 3 3 0 0.0000 +1 0.6000 -2 0.0000 +3 C94 ",
4063 "torsiondel 2 2 3 6 24 0.2560 +1 4.5190 -2 0.2580 +3 C94 ",
4064 "torsiondel 2 3 3 6 24 1.6630 +1 4.0730 -2 0.0940 +3 C94 ",
4065 "torsiondel 2 37 3 6 24 0.0000 +1 3.8920 -2 -0.0940 +3 C94 ",
4066 "torsiondel 2 0 3 6 0 0.0000 +1 5.5000 -2 0.0000 +3 C94 ",
4067 "torsiondel 1 0 3 9 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4068 "torsiondel 2 2 3 10 28 -0.2870 +1 7.1420 -2 0.1200 +3 C94 ",
4069 "torsiondel 2 0 3 10 0 0.0000 +1 6.0000 -2 0.0000 +3 C94 ",
4070 "torsiondel 2 0 3 15 0 0.0000 +1 1.4230 -2 0.0000 +3 E94 ",
4071 "torsiondel 2 0 3 18 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4072 "torsiondel 2 0 3 20 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4073 "torsiondel 2 0 3 22 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4074 "torsiondel 2 0 3 25 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4075 "torsiondel 1 0 3 30 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4076 "torsiondel 1 1 3 37 37 0.0000 +1 2.4280 -2 0.0000 +3 C94 ",
4077 "torsiondel 1 6 3 37 37 0.0000 +1 1.7430 -2 0.0000 +3 C94 ",
4078 "torsiondel 1 7 3 37 37 0.0000 +1 2.2560 -2 0.0000 +3 C94 ",
4079 "torsiondel 1 43 3 37 37 -0.2410 +1 3.3850 -2 -0.8380 +3 X94 ",
4080 "torsiondel 1 0 3 37 0 0.0000 +1 2.5000 -2 0.0000 +3 #E94 ",
4081 "torsiondel 1 0 3 39 0 0.0000 +1 5.5000 -2 0.0000 +3 #E94 ",
4082 "torsiondel 2 0 3 40 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4083 "torsiondel 2 0 3 41 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4084 "torsiondel 2 37 3 43 18 -0.7010 +1 4.8710 -2 1.2250 +3 X94 ",
4085 "torsiondel 2 37 3 43 28 -0.0860 +1 5.0730 -2 0.8780 +3 X94 ",
4086 "torsiondel 2 0 3 43 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4087 "torsiondel 2 0 3 45 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4088 "torsiondel 1 0 3 54 0 0.0000 +1 2.5000 -2 0.0000 +3 #E94 ",
4089 "torsiondel 2 0 3 55 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4090 "torsiondel 2 0 3 56 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4091 "torsiondel 1 0 3 57 0 0.0000 +1 2.5000 -2 0.0000 +3 #E94 ",
4092 "torsiondel 1 0 3 58 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4093 "torsiondel 2 0 3 62 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4094 "torsiondel 1 0 3 63 0 0.0000 +1 2.5000 -2 0.0000 +3 #E94 ",
4095 "torsiondel 1 0 3 64 0 0.0000 +1 2.5000 -2 0.0000 +3 #E94 ",
4096 "torsiondel 1 0 3 78 0 0.0000 +1 2.5000 -2 0.0000 +3 #E94 ",
4097 "torsiondel 1 0 3 80 0 0.0000 +1 2.5000 -2 0.0000 +3 #E94 ",
4098 "torsiondel 2 0 6 30 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4099 "torsiondel 1 0 9 9 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4100 "torsiondel 1 0 9 37 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4101 "torsiondel 1 0 9 39 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4102 "torsiondel 1 0 9 57 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4103 "torsiondel 1 0 9 63 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4104 "torsiondel 1 0 9 64 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4105 "torsiondel 1 0 9 78 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4106 "torsiondel 1 0 9 81 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4107 "torsiondel 2 0 20 30 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4108 "torsiondel 1 0 30 30 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4109 "torsiondel 1 0 30 67 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4110 "torsiondel 1 0 37 37 0 0.0000 +1 2.0000 -2 0.0000 +3 #E94 ",
4111 "torsiondel 1 0 37 39 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4112 "torsiondel 1 0 37 57 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4113 "torsiondel 1 0 37 58 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4114 "torsiondel 1 0 37 63 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4115 "torsiondel 1 0 37 64 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4116 "torsiondel 1 0 37 67 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4117 "torsiondel 1 0 37 81 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4118 "torsiondel 1 0 39 63 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4119 "torsiondel 1 0 39 64 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4120 "torsiondel 2 0 40 54 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4121 "torsiondel 2 0 55 57 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4122 "torsiondel 1 0 57 63 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4123 "torsiondel 1 0 57 64 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4124 "torsiondel 1 0 63 63 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4125 "torsiondel 1 0 64 64 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4126 //
4127 // ## generalized torsion parameters
4128 //
4129 "torsion 0 1 1 0 0.0000 +1 0.0000 -2 0.3000 +3 C94 ",
4130 "torsion5 0 1 1 0 0.2000 +1 -0.8000 -2 1.5000 +3 C94 ",
4131 "torsion 0 1 2 2 0.0000 +1 0.0000 -2 -0.6500 +3 C94 ",
4132 "torsion5 0 1 2 2 0.0000 +1 0.0000 -2 -0.6500 +3 C94 ",
4133 "torsion 0 1 2 0 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
4134 "torsion5 0 1 2 0 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
4135 "torsion 0 1 3 1 0.0000 +1 0.0000 -2 0.5500 +3 C94 ",
4136 "torsion 0 1 3 5 0.0000 +1 0.2000 -2 0.7000 +3 C94 ",
4137 "torsion 0 1 3 7 0.0000 +1 0.4000 -2 0.4000 +3 C94 ",
4138 "torsion 0 1 3 0 0.0000 +1 0.4000 -2 0.3000 +3 C94 ",
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4401 "torsion5 0 18 20 0 0.0000 +1 0.0000 -2 0.1120 +3 E94 ",
4402 "torsion 0 18 22 0 0.0000 +1 0.0000 -2 0.1120 +3 E94 ",
4403 "torsion 0 18 37 0 0.0000 +1 -1.2000 -2 -0.3000 +3 C94 ",
4404 "torsion 0 18 39 0 0.0000 +1 0.0000 -2 0.5000 +3 C94 ",
4405 "torsion 0 18 43 0 0.0000 +1 0.0000 -2 0.3500 +3 C94 ",
4406 "torsion4 0 18 43 0 0.0000 +1 0.0000 -2 0.1410 +3 E94 ",
4407 "torsion5 0 18 43 0 0.0000 +1 0.0000 -2 0.1410 +3 E94 ",
4408 "torsion 0 18 48 0 0.0000 +1 0.0000 -2 0.4000 +3 C94 ",
4409 "torsion 0 18 55 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4410 "torsion 0 18 58 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4411 "torsion 0 18 62 0 0.0000 +1 0.0000 -2 0.5000 +3 C94 ",
4412 "torsion 0 18 63 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4413 "torsion 0 18 64 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4414 "torsion 0 18 80 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4415 "torsion 0 19 20 0 0.0000 +1 0.0000 -2 0.1790 +3 E94 ",
4416 "torsion4 0 19 20 0 0.0000 +1 0.0000 -2 0.1790 +3 E94 ",
4417 "torsion 0 19 37 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4418 "torsion 0 19 40 0 0.0000 +1 0.0000 -2 0.2250 +3 E94 ",
4419 "torsion 0 19 63 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4420 "torsion 0 19 75 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4421 "torsion 0 20 20 0 0.0000 +1 0.0000 -2 0.2000 +3 C94 ",
4422 "torsion4 0 20 20 0 0.0000 +1 0.0000 -2 0.0000 +3 C94 ",
4423 "torsion5 0 20 20 0 0.0000 +1 0.0000 -2 0.2360 +3 E94 ",
4424 "torsion 0 20 22 0 0.0000 +1 0.0000 -2 0.2360 +3 E94 ",
4425 "torsion4 0 20 22 0 0.0000 +1 0.0000 -2 0.2360 +3 E94 ",
4426 "torsion 0 20 25 0 0.0000 +1 0.0000 -2 0.2510 +3 E94 ",
4427 "torsion4 0 20 25 0 0.0000 +1 0.0000 -2 0.2510 +3 E94 ",
4428 "torsion 0 20 26 0 0.0000 +1 0.0000 -2 0.3760 +3 E94 ",
4429 "torsion4 0 20 26 0 0.0000 +1 0.0000 -2 0.3760 +3 E94 ",
4430 "torsion5 0 20 26 0 0.0000 +1 0.0000 -2 0.3760 +3 E94 ",
4431 "torsion 0 20 30 30 0.0000 +1 0.0000 -2 -0.5000 +3 C94 ",
4432 "torsion 0 20 30 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4433 "torsion4 0 20 30 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4434 "torsion 0 20 34 0 0.0000 +1 0.0000 -2 0.1980 +3 E94 ",
4435 "torsion4 0 20 34 0 0.0000 +1 0.0000 -2 0.1980 +3 E94 ",
4436 "torsion 0 20 37 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4437 "torsion4 0 20 37 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4438 "torsion 0 20 40 0 0.0000 +1 0.0000 -2 0.2970 +3 E94 ",
4439 "torsion 0 20 41 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4440 "torsion 0 20 43 0 0.0000 +1 0.0000 -2 0.2970 +3 E94 ",
4441 "torsion4 0 20 43 0 0.0000 +1 0.0000 -2 0.2970 +3 E94 ",
4442 "torsion 0 20 45 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4443 "torsion 0 22 22 0 0.0000 +1 0.0000 -2 0.2360 +3 E94 ",
4444 "torsion4 0 22 22 0 0.0000 +1 0.0000 -2 0.2360 +3 E94 ",
4445 "torsion5 0 22 22 0 0.0000 +1 0.0000 -2 0.2360 +3 E94 ",
4446 "torsion 0 22 30 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4447 "torsion4 0 22 30 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4448 "torsion 0 22 34 0 0.0000 +1 0.0000 -2 0.1980 +3 E94 ",
4449 "torsion 0 22 37 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4450 "torsion 0 22 40 0 0.0000 +1 0.0000 -2 0.2970 +3 E94 ",
4451 "torsion 0 22 41 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4452 "torsion 0 22 43 0 0.0000 +1 0.0000 -2 0.2970 +3 E94 ",
4453 "torsion5 0 22 43 0 0.0000 +1 0.0000 -2 0.2970 +3 E94 ",
4454 "torsion 0 22 45 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4455 "torsion 0 25 25 0 0.0000 +1 0.0000 -2 0.2670 +3 E94 ",
4456 "torsion 0 25 37 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4457 "torsion5 0 25 37 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4458 "torsion 0 25 39 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4459 "torsion 0 25 40 0 0.0000 +1 0.0000 -2 0.3160 +3 E94 ",
4460 "torsion5 0 25 40 0 0.0000 +1 0.0000 -2 0.3160 +3 E94 ",
4461 "torsion 0 25 43 0 0.0000 +1 0.0000 -2 0.2500 +3 C94 ",
4462 "torsion 0 25 57 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4463 "torsion 0 25 63 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4464 "torsion 0 26 26 0 0.0000 +1 0.0000 -2 0.6000 +3 E94 ",
4465 "torsion5 0 26 26 0 0.0000 +1 0.0000 -2 0.6000 +3 E94 ",
4466 "torsion 0 26 34 0 0.0000 +1 0.0000 -2 0.3160 +3 E94 ",
4467 "torsion5 0 26 34 0 0.0000 +1 0.0000 -2 0.3160 +3 E94 ",
4468 "torsion 0 26 37 0 0.0000 +1 1.4230 -2 0.0000 +3 E94 ",
4469 "torsion 0 26 40 0 0.0000 +1 0.0000 -2 0.4740 +3 E94 ",
4470 "torsion 0 30 30 0 0.0000 +1 12.0000 -2 0.0000 +3 E94 ",
4471 "torsion4 0 30 30 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4472 "torsion 0 30 40 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4473 "torsion 0 34 37 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4474 "torsion 0 34 43 0 0.0000 +1 0.0000 -2 0.2500 +3 E94 ",
4475 "torsion 0 37 37 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4476 "torsion4 0 37 37 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4477 "torsion5 0 37 37 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4478 "torsion 0 37 38 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4479 "torsion 0 37 39 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4480 "torsion 0 37 40 0 0.0000 +1 4.0000 -2 0.0000 +3 C94 ",
4481 "torsion5 0 37 40 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4482 "torsion 0 37 41 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4483 "torsion 0 37 43 0 0.0000 +1 2.0000 -2 1.8000 +3 C94 ",
4484 "torsion5 0 37 43 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4485 "torsion 0 37 45 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4486 "torsion 0 37 46 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4487 "torsion 0 37 55 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4488 "torsion 0 37 56 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4489 "torsion 0 37 58 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4490 "torsion 0 37 62 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4491 "torsion 0 37 63 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4492 "torsion 0 37 64 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4493 "torsion 0 37 69 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4494 "torsion 0 37 78 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4495 "torsion 0 37 81 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4496 "torsion 0 38 38 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4497 "torsion 0 38 58 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4498 "torsion 0 38 63 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4499 "torsion 0 38 64 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4500 "torsion 0 38 69 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4501 "torsion 0 38 78 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4502 "torsion 0 39 40 0 0.0000 +1 0.0000 -2 0.0000 +3 E94 ",
4503 "torsion 0 39 45 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4504 "torsion 0 39 63 0 0.0000 +1 4.0000 -2 0.0000 +3 C94 ",
4505 "torsion5 0 39 63 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4506 "torsion 0 39 64 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4507 "torsion 0 39 65 0 0.0000 +1 4.0000 -2 0.0000 +3 C94 ",
4508 "torsion 0 39 78 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4509 "torsion 0 40 40 0 0.0000 +1 0.0000 -2 0.3750 +3 E94 ",
4510 "torsion 0 40 45 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4511 "torsion 0 40 46 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4512 "torsion 0 40 54 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4513 "torsion 0 40 63 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4514 "torsion 0 40 64 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4515 "torsion 0 40 78 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4516 "torsion 0 41 41 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4517 "torsion 0 41 55 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4518 "torsion 0 41 62 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4519 "torsion 0 41 80 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4520 "torsion 0 43 43 0 0.0000 +1 0.0000 -2 0.3750 +3 E94 ",
4521 "torsion 0 43 45 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4522 "torsion 0 43 64 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4523 "torsion 0 44 57 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4524 "torsion 0 44 63 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4525 "torsion 0 44 65 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4526 "torsion 0 44 78 0 0.0000 +1 2.8460 -2 0.0000 +3 E94 ",
4527 "torsion 0 44 80 0 0.0000 +1 2.8460 -2 0.0000 +3 E94 ",
4528 "torsion 0 45 63 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4529 "torsion 0 45 64 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4530 "torsion 0 45 78 0 0.0000 +1 1.8000 -2 0.0000 +3 E94 ",
4531 "torsion 0 55 57 0 0.0000 +1 10.0000 -2 0.0000 +3 C94 ",
4532 "torsion5 0 55 57 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4533 "torsion 0 55 62 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4534 "torsion 0 55 64 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4535 "torsion 0 55 80 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4536 "torsion 0 56 57 0 0.0000 +1 6.0000 -2 0.0000 +3 C94 ",
4537 "torsion 0 56 63 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4538 "torsion 0 56 80 0 0.0000 +1 4.8000 -2 0.0000 +3 E94 ",
4539 "torsion 0 58 63 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4540 "torsion 0 58 64 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4541 "torsion 0 59 63 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4542 "torsion 0 59 65 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4543 "torsion 0 59 78 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4544 "torsion 0 59 80 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4545 "torsion 0 59 82 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4546 "torsion 0 62 63 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4547 "torsion 0 62 64 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4548 "torsion 0 63 64 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4549 "torsion 0 63 66 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4550 "torsion 0 63 78 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4551 "torsion 0 63 81 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4552 "torsion 0 64 64 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4553 "torsion 0 64 65 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4554 "torsion 0 64 66 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4555 "torsion 0 64 78 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4556 "torsion 0 64 81 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4557 "torsion5 0 64 81 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4558 "torsion 0 64 82 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4559 "torsion 0 65 66 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4560 "torsion 0 65 78 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4561 "torsion 0 65 81 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4562 "torsion 0 65 82 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4563 "torsion 0 66 66 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4564 "torsion 0 66 78 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4565 "torsion 0 66 81 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4566 "torsion 0 67 67 0 0.0000 +1 12.0000 -2 0.0000 +3 E94 ",
4567 "torsion5 0 67 67 0 0.0000 +1 12.0000 -2 0.0000 +3 E94 ",
4568 "torsion 0 76 76 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4569 "torsion 0 76 78 0 0.0000 +1 3.6000 -2 0.0000 +3 E94 ",
4570 "torsion 0 78 78 0 0.0000 +1 7.0000 -2 0.0000 +3 C94 ",
4571 "torsion 0 78 79 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4572 "torsion 0 78 81 0 0.0000 +1 4.0000 -2 0.0000 +3 C94 ",
4573 "torsion 0 79 79 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4574 "torsion 0 79 81 0 0.0000 +1 6.0000 -2 0.0000 +3 E94 ",
4575 "torsion 0 80 81 0 0.0000 +1 4.0000 -2 0.0000 +3 C94 ",
4576 "torsion 0 80 81 0 0.0000 +1 4.0000 -2 0.0000 +3 C94 ",
4577 //
4578 /*
4579 ########################################
4580 ## ##
4581 ## Atomic Partial Charge Parameters ##
4582 ## ##
4583 ########################################
4584 */
4585 //
4586 "mmffchrg 1 0.0000 0.0000 0.0000 E94 ",
4587 "mmffchrg 2 -0.1350 0.0000 0.0000 E94 ",
4588 "mmffchrg 3 -0.0950 0.0000 0.0000 E94 ",
4589 "mmffchrg 4 -0.2000 0.0000 0.0000 E94 ",
4590 "mmffchrg 5 -0.0230 0.0000 0.0000 E94 ",
4591 "mmffchrg 6 -0.2430 0.0000 0.0000 E94 ",
4592 "mmffchrg 7 -0.6870 0.0000 0.0000 E94 ",
4593 "mmffchrg 8 -0.2530 0.0000 0.0000 E94 ",
4594 "mmffchrg 9 -0.3060 0.0000 0.0000 E94 ",
4595 "mmffchrg 10 -0.2440 0.0000 0.0000 E94 ",
4596 "mmffchrg 11 -0.3170 0.0000 0.0000 E94 ",
4597 "mmffchrg 12 -0.3040 0.0000 0.0000 E94 ",
4598 "mmffchrg 13 -0.2380 0.0000 0.0000 E94 ",
4599 "mmffchrg 14 -0.2080 0.0000 0.0000 E94 ",
4600 "mmffchrg 15 -0.2360 0.0000 0.0000 E94 ",
4601 "mmffchrg 16 -0.4750 0.0000 0.0000 E94 ",
4602 "mmffchrg 17 -0.1910 0.0000 0.0000 E94 ",
4603 "mmffchrg 18 -0.1180 0.0000 0.0000 E94 ",
4604 "mmffchrg 19 0.0940 0.0000 0.0000 E94 ",
4605 "mmffchrg 20 -0.0190 0.0000 0.0000 E94 ",
4606 "mmffchrg 21 0.1570 0.0000 0.0000 E94 ",
4607 "mmffchrg 22 -0.0950 0.0000 0.0000 E94 ",
4608 "mmffchrg 23 0.1930 0.0000 0.0000 E94 ",
4609 "mmffchrg 24 0.2570 0.0000 0.0000 E94 ",
4610 "mmffchrg 25 0.0120 0.0000 0.0000 E94 ",
4611 "mmffchrg 26 -0.1420 0.0000 0.0000 E94 ",
4612 "mmffchrg 27 0.0940 0.0000 0.0000 E94 ",
4613 "mmffchrg 28 0.0580 0.0000 0.0000 E94 ",
4614 "mmffchrg 29 0.2070 0.0000 0.0000 E94 ",
4615 "mmffchrg 30 -0.1660 0.0000 0.0000 E94 ",
4616 "mmffchrg 31 0.1610 0.0000 0.0000 E94 ",
4617 "mmffchrg 32 -0.7320 0.5000 -0.5000 E94 ",
4618 "mmffchrg 33 0.2570 0.0000 0.0000 E94 ",
4619 "mmffchrg 34 -0.4910 0.0000 1.0000 E94 ",
4620 "mmffchrg 35 -0.4560 0.5000 -1.0000 E94 ",
4621 "mmffchrg 36 -0.0310 0.0000 0.0000 E94 ",
4622 "mmffchrg 37 -0.1270 0.0000 0.0000 E94 ",
4623 "mmffchrg 38 -0.4370 0.0000 0.0000 E94 ",
4624 "mmffchrg 39 -0.1040 0.0000 0.0000 E94 ",
4625 "mmffchrg 40 -0.2640 0.0000 0.0000 E94 ",
4626 "mmffchrg 41 0.0520 0.0000 0.0000 E94 ",
4627 "mmffchrg 42 -0.7570 0.0000 0.0000 E94 ",
4628 "mmffchrg 43 -0.3260 0.0000 0.0000 E94 ",
4629 "mmffchrg 44 -0.2370 0.0000 0.0000 E94 ",
4630 "mmffchrg 45 -0.2600 0.0000 0.0000 E94 ",
4631 "mmffchrg 46 -0.4290 0.0000 0.0000 E94 ",
4632 "mmffchrg 47 -0.4180 0.0000 0.0000 E94 ",
4633 "mmffchrg 48 -0.5250 0.0000 0.0000 E94 ",
4634 "mmffchrg 49 -0.2830 0.0000 1.0000 E94 ",
4635 "mmffchrg 50 0.2840 0.0000 0.0000 E94 ",
4636 "mmffchrg 51 -1.0460 0.0000 1.0000 E94 ",
4637 "mmffchrg 52 -0.5460 0.0000 0.0000 E94 ",
4638 "mmffchrg 53 -0.0480 0.0000 0.0000 E94 ",
4639 "mmffchrg 54 -0.4240 0.0000 1.0000 E94 ",
4640 "mmffchrg 55 -0.4760 0.0000 0.5000 E94 ",
4641 "mmffchrg 56 -0.4380 0.0000 0.3330 E94 ",
4642 "mmffchrg 57 -0.1050 0.0000 0.0000 E94 ",
4643 "mmffchrg 58 -0.4880 0.0000 1.0000 E94 ",
4644 "mmffchrg 59 -0.3370 0.0000 0.0000 E94 ",
4645 "mmffchrg 60 -0.6350 0.0000 0.0000 E94 ",
4646 "mmffchrg 61 -0.2650 0.0000 0.0000 E94 ",
4647 "mmffchrg 62 -0.1250 0.2500 -1.0000 E94 ",
4648 "mmffchrg 63 -0.1800 0.0000 0.0000 E94 ",
4649 "mmffchrg 64 -0.1810 0.0000 0.0000 E94 ",
4650 "mmffchrg 65 -0.4750 0.0000 0.0000 E94 ",
4651 "mmffchrg 66 -0.4670 0.0000 0.0000 E94 ",
4652 "mmffchrg 67 -0.0990 0.0000 0.0000 == ",
4653 "mmffchrg 68 -0.1350 0.0000 0.0000 E94 ",
4654 "mmffchrg 69 -0.0990 0.0000 0.0000 E94 ",
4655 "mmffchrg 70 -0.2690 0.0000 0.0000 E94 ",
4656 "mmffchrg 71 -0.0710 0.0000 0.0000 E94 ",
4657 "mmffchrg 72 -0.5800 0.5000 -0.5000 E94 ",
4658 "mmffchrg 73 -0.2000 0.0000 0.0000 E94 ",
4659 "mmffchrg 74 -0.3010 0.0000 0.0000 E94 ",
4660 "mmffchrg 75 -0.2550 0.0000 0.0000 E94 ",
4661 "mmffchrg 76 -0.5680 0.2500 -1.0000 E94 ",
4662 "mmffchrg 77 -0.2820 0.0000 0.0000 E94 ",
4663 "mmffchrg 78 -0.1680 0.0000 0.0000 E94 ",
4664 "mmffchrg 79 -0.4710 0.0000 0.0000 == ",
4665 "mmffchrg 80 -0.1440 0.0000 0.0000 E94 ",
4666 "mmffchrg 81 -0.5140 0.0000 0.3330 E94 ",
4667 "mmffchrg 82 -0.0990 0.0000 0.0000 == ",
4668 "mmffchrg 83 0.0000 0.0000 0.0000 Unused ",
4669 "mmffchrg 84 0.0000 0.0000 0.0000 Unused ",
4670 "mmffchrg 85 0.0000 0.0000 0.0000 Unused ",
4671 "mmffchrg 86 0.0000 0.0000 0.0000 Unused ",
4672 "mmffchrg 87 2.0000 0.0000 2.0000 Ionic ",
4673 "mmffchrg 88 3.0000 0.0000 3.0000 Ionic ",
4674 "mmffchrg 89 -1.0000 0.0000 -1.0000 Ionic ",
4675 "mmffchrg 90 -1.0000 0.0000 -1.0000 Ionic ",
4676 "mmffchrg 91 -1.0000 0.0000 -1.0000 Ionic ",
4677 "mmffchrg 92 1.0000 0.0000 1.0000 Ionic ",
4678 "mmffchrg 93 1.0000 0.0000 1.0000 Ionic ",
4679 "mmffchrg 94 1.0000 0.0000 1.0000 Ionic ",
4680 "mmffchrg 95 2.0000 0.0000 2.0000 Ionic ",
4681 "mmffchrg 96 2.0000 0.0000 2.0000 Ionic ",
4682 "mmffchrg 97 1.0000 0.0000 1.0000 Ionic ",
4683 "mmffchrg 98 2.0000 0.0000 2.0000 Ionic ",
4684 "mmffchrg 99 2.0000 0.0000 2.0000 Ionic ",
4685 "mmffchrg 100 -0.7320 0.0000 0.0000 BPH ",
4686 "mmffchrg 101 -0.7320 0.0000 0.0000 BPH",
4687 // pos metals
4688 "mmffchrg 301 1.0000 0.0000 1.0000 Ionic // Li ",
4689 "mmffchrg 302 1.0000 0.0000 2.0000 Ionic // Be",
4690 "mmffchrg 303 1.0000 0.0000 1.0000 Ionic // Na",
4691 "mmffchrg 304 1.0000 0.0000 2.0000 Ionic // Mg",
4692 "mmffchrg 305 1.0000 0.0000 1.0000 Ionic // K",
4693 "mmffchrg 306 1.0000 0.0000 2.0000 Ionic // Ca",
4694 //
4695 "mmffchrg 320 1.0000 0.0000 1.0000 Ionic // Rb",
4696 "mmffchrg 321 1.0000 0.0000 2.0000 Ionic // Sr",
4697 //
4698 "mmffchrg 336 1.0000 0.0000 1.0000 Ionic // Cs",
4699 "mmffchrg 337 1.0000 0.0000 2.0000 Ionic // Ba",
4700 //
4701 "mmffchrg 367 1.0000 0.0000 1.0000 Ionic // Fr",
4702 "mmffchrg 368 1.0000 0.0000 2.0000 Ionic // Ra",
4703 /*
4704 ########################################
4705 ## ##
4706 ## Bond mmffchrg Parameters ##
4707 ## ##
4708 ########################################
4709 */
4710 "bndchrg 1 1 0.0000 #C94 ",
4711 "bndchrg 1 2 -0.1382 C94 ",
4712 "bndchrg 1 3 -0.0610 #C94 ",
4713 "bndchrg 1 4 -0.2000 #X94 ",
4714 "bndchrg 1 5 0.0000 #C94 ",
4715 "bndchrg 1 6 -0.2800 #C94 ",
4716 "bndchrg 1 8 -0.2700 #C94 ",
4717 "bndchrg 1 9 -0.2460 #C94 ",
4718 "bndchrg 1 10 -0.3001 C94 ",
4719 "bndchrg 1 11 -0.3400 #C94 ",
4720 "bndchrg 1 12 -0.2900 #C94 ",
4721 "bndchrg 1 13 -0.2300 #X94 ",
4722 "bndchrg 1 14 -0.1900 #X94 ",
4723 "bndchrg 1 15 -0.2300 #C94 ",
4724 "bndchrg 1 17 -0.1935 X94 ",
4725 "bndchrg 1 18 -0.1052 X94 ",
4726 "bndchrg 1 19 0.0805 X94 ",
4727 "bndchrg 1 20 0.0000 #C94 ",
4728 "bndchrg 1 22 -0.0950 E94 ",
4729 "bndchrg 1 25 0.0000 #X94 ",
4730 "bndchrg 1 26 -0.1669 X94 ",
4731 "bndchrg 1 34 -0.5030 C94 ",
4732 "bndchrg 1 35 -0.4274 X94 ",
4733 "bndchrg 1 37 -0.1435 C94 ",
4734 "bndchrg 1 39 -0.2556 C94 ",
4735 "bndchrg 1 40 -0.3691 C94 ",
4736 "bndchrg 1 41 0.1060 #C94 ",
4737 "bndchrg 1 43 -0.3557 X94 ",
4738 "bndchrg 1 45 -0.2402 X94 ",
4739 "bndchrg 1 46 -0.3332 X94 ",
4740 "bndchrg 1 54 -0.3461 C94 ",
4741 "bndchrg 1 55 -0.4895 C94 ",
4742 "bndchrg 1 56 -0.3276 C94 ",
4743 "bndchrg 1 57 -0.1050 E94 ",
4744 "bndchrg 1 58 -0.4880 E94 ",
4745 "bndchrg 1 61 -0.2657 X94 ",
4746 "bndchrg 1 62 -0.2000 #X94 ",
4747 "bndchrg 1 63 -0.1800 E94 ",
4748 "bndchrg 1 64 -0.1810 E94 ",
4749 "bndchrg 1 67 -0.0990 E94 ",
4750 "bndchrg 1 68 -0.2560 #C94 ",
4751 "bndchrg 1 72 -0.5500 #X94 ",
4752 "bndchrg 1 73 -0.0877 X94 ",
4753 "bndchrg 1 75 -0.2550 E94 ",
4754 "bndchrg 1 78 -0.1680 E94 ",
4755 "bndchrg 1 80 -0.1440 E94 ",
4756 "bndchrg 1 81 -0.5140 E94 ",
4757 "bndchrg 2 2 0.0000 #C94 ",
4758 "bndchrgdel 2 2 0.0000 #C94 ",
4759 "bndchrgdel 2 3 -0.0144 C94 ",
4760 "bndchrg 2 4 -0.0650 E94 ",
4761 "bndchrgdel 2 4 -0.0650 E94 ",
4762 "bndchrg 2 5 0.1500 #C94 ",
4763 "bndchrg 2 6 -0.0767 C94 ",
4764 "bndchrgdel 2 9 -0.1710 E94 ",
4765 "bndchrg 2 10 -0.1090 E94 ",
4766 "bndchrg 2 11 -0.1495 X94 ",
4767 "bndchrg 2 12 -0.1400 #X94 ",
4768 "bndchrg 2 13 -0.1100 #X94 ",
4769 "bndchrg 2 14 -0.0900 #X94 ",
4770 "bndchrg 2 15 -0.1010 E94 ",
4771 "bndchrg 2 17 -0.0560 E94 ",
4772 "bndchrg 2 18 0.0170 E94 ",
4773 "bndchrg 2 19 0.2290 E94 ",
4774 "bndchrg 2 20 0.1160 E94 ",
4775 "bndchrg 2 22 0.0400 E94 ",
4776 "bndchrg 2 25 0.1470 E94 ",
4777 "bndchrg 2 30 -0.0310 E94 ",
4778 "bndchrg 2 34 -0.3560 E94 ",
4779 "bndchrg 2 35 -0.3500 #X94 ",
4780 "bndchrgdel 2 37 0.0284 C94 ",
4781 "bndchrgdel 2 39 0.0310 E94 ",
4782 "bndchrg 2 40 -0.1000 #C94 ",
4783 "bndchrg 2 41 0.2500 #C94 ",
4784 "bndchrg 2 43 -0.1910 E94 ",
4785 "bndchrg 2 45 -0.2044 X94 ",
4786 "bndchrg 2 46 -0.2940 E94 ",
4787 "bndchrg 2 55 -0.3410 E94 ",
4788 "bndchrg 2 56 -0.3030 E94 ",
4789 "bndchrg 2 62 -0.0500 #X94 ",
4790 "bndchrgdel 2 63 -0.0450 E94 ",
4791 "bndchrgdel 2 64 -0.0460 E94 ",
4792 "bndchrgdel 2 67 0.0360 E94 ",
4793 "bndchrg 2 72 -0.4500 #X94 ",
4794 "bndchrgdel 2 81 -0.3790 E94 ",
4795 "bndchrgdel 3 3 0.0000 #C94 ",
4796 "bndchrgdel 3 4 -0.1050 E94 ",
4797 "bndchrg 3 5 0.0600 #C94 ",
4798 "bndchrg 3 6 -0.1500 #C94 ",
4799 "bndchrg 3 7 -0.5700 #C94 ",
4800 "bndchrg 3 9 -0.4500 #C94 ",
4801 "bndchrgdel 3 9 -0.2110 E94 ",
4802 "bndchrg 3 10 -0.0600 C94 ",
4803 "bndchrg 3 11 -0.2220 E94 ",
4804 "bndchrg 3 12 -0.2090 E94 ",
4805 "bndchrg 3 15 -0.1410 E94 ",
4806 "bndchrg 3 16 -0.3800 #X94 ",
4807 "bndchrg 3 17 -0.0960 E94 ",
4808 "bndchrg 3 18 -0.0230 E94 ",
4809 "bndchrg 3 20 0.0530 #C94 ",
4810 "bndchrg 3 22 0.0000 E94 ",
4811 "bndchrg 3 25 0.1070 E94 ",
4812 "bndchrgdel 3 30 -0.0710 E94 ",
4813 "bndchrg 3 35 -0.3610 E94 ",
4814 "bndchrgdel 3 37 0.0862 C94 ",
4815 "bndchrgdel 3 39 -0.0090 E94 ",
4816 "bndchrg 3 40 -0.0500 #C94 ",
4817 "bndchrg 3 41 0.1470 E94 ",
4818 "bndchrg 3 43 -0.2363 X94 ",
4819 "bndchrg 3 45 -0.1650 E94 ",
4820 "bndchrg 3 48 -0.4300 E94 ",
4821 "bndchrg 3 51 -0.9500 #X94 ",
4822 "bndchrg 3 53 -0.0134 X94 ",
4823 "bndchrg 3 54 -0.4000 #C94 ",
4824 "bndchrgdel 3 54 -0.3290 E94 ",
4825 "bndchrg 3 55 -0.3810 E94 ",
4826 "bndchrg 3 56 -0.3430 E94 ",
4827 "bndchrgdel 3 57 -0.0100 E94 ",
4828 "bndchrgdel 3 58 -0.3930 E94 ",
4829 "bndchrg 3 62 -0.0300 E94 ",
4830 "bndchrgdel 3 63 -0.0850 E94 ",
4831 "bndchrgdel 3 64 -0.0860 E94 ",
4832 "bndchrg 3 67 -0.0040 E94 ",
4833 "bndchrg 3 74 -0.3190 X94 ",
4834 "bndchrg 3 75 -0.2474 X94 ",
4835 "bndchrgdel 3 78 -0.0730 E94 ",
4836 "bndchrgdel 3 80 -0.0490 E94 ",
4837 "bndchrg 4 5 0.1770 E94 ",
4838 "bndchrg 4 6 -0.0430 E94 ",
4839 "bndchrg 4 7 -0.4870 E94 ",
4840 "bndchrg 4 9 -0.3000 E94 ",
4841 "bndchrgdel 4 9 -0.1060 E94 ",
4842 "bndchrg 4 10 -0.0440 E94 ",
4843 "bndchrg 4 15 -0.0360 E94 ",
4844 "bndchrg 4 20 0.1810 E94 ",
4845 "bndchrg 4 22 0.1050 E94 ",
4846 "bndchrg 4 30 0.0340 E94 ",
4847 "bndchrgdel 4 37 0.0730 E94 ",
4848 "bndchrg 4 40 -0.0640 E94 ",
4849 "bndchrg 4 42 -0.5571 X94 ",
4850 "bndchrg 4 43 -0.1260 E94 ",
4851 "bndchrgdel 4 63 0.0200 E94 ",
4852 "bndchrgdel 4 64 0.0190 E94 ",
4853 "bndchrg 5 19 0.2000 #X94 ",
4854 "bndchrg 5 20 0.0000 #C94 ",
4855 "bndchrg 5 22 -0.1000 #C94 ",
4856 "bndchrg 5 30 -0.1500 #C94 ",
4857 "bndchrg 5 37 -0.1500 #C94 ",
4858 "bndchrg 5 41 0.2203 C94 ",
4859 "bndchrg 5 57 -0.1500 #C94 ",
4860 "bndchrg 5 63 -0.1500 #C94 ",
4861 "bndchrg 5 64 -0.1500 #C94 ",
4862 "bndchrg 5 78 -0.1500 #C94 ",
4863 "bndchrg 5 80 -0.1500 #C94 ",
4864 "bndchrg 6 6 0.0000 #C94 ",
4865 "bndchrg 6 8 -0.1000 #C94 ",
4866 "bndchrg 6 9 -0.0630 E94 ",
4867 "bndchrg 6 10 0.0355 C94 ",
4868 "bndchrg 6 15 0.0070 E94 ",
4869 "bndchrg 6 17 0.0520 E94 ",
4870 "bndchrg 6 18 0.1837 X94 ",
4871 "bndchrg 6 19 0.2974 X94 ",
4872 "bndchrg 6 20 0.2579 C94 ",
4873 "bndchrg 6 21 0.4000 #C94 ",
4874 "bndchrg 6 22 0.1480 E94 ",
4875 "bndchrg 6 24 0.5000 #C94 ",
4876 "bndchrg 6 25 0.2712 X94 ",
4877 "bndchrg 6 26 0.1010 E94 ",
4878 "bndchrg 6 29 0.4500 #C94 ",
4879 "bndchrg 6 30 0.0770 E94 ",
4880 "bndchrg 6 33 0.5000 #X94 ",
4881 "bndchrg 6 37 0.0825 C94 ",
4882 "bndchrg 6 39 0.1390 E94 ",
4883 "bndchrg 6 40 -0.0210 E94 ",
4884 "bndchrg 6 41 0.2950 E94 ",
4885 "bndchrg 6 43 -0.0830 E94 ",
4886 "bndchrg 6 45 -0.0090 X94 ",
4887 "bndchrg 6 54 -0.1810 E94 ",
4888 "bndchrg 6 55 -0.2330 E94 ",
4889 "bndchrg 6 57 0.1380 E94 ",
4890 "bndchrg 6 58 -0.2450 E94 ",
4891 "bndchrg 6 63 0.0630 E94 ",
4892 "bndchrg 6 64 0.0620 E94 ",
4893 "bndchrg 7 17 0.5000 #X94 ",
4894 "bndchrg 7 46 0.1618 X94 ",
4895 "bndchrg 7 74 0.5000 #X94 ",
4896 "bndchrg 8 8 0.0000 #C94 ",
4897 "bndchrg 8 9 -0.0530 E94 ",
4898 "bndchrg 8 10 0.0090 E94 ",
4899 "bndchrg 8 12 -0.0510 E94 ",
4900 "bndchrg 8 15 0.0170 E94 ",
4901 "bndchrg 8 17 0.0620 E94 ",
4902 "bndchrg 8 19 0.3470 E94 ",
4903 "bndchrg 8 20 0.2096 C94 ",
4904 "bndchrg 8 22 0.1580 E94 ",
4905 "bndchrg 8 23 0.3600 #C94 ",
4906 "bndchrg 8 25 0.2679 X94 ",
4907 "bndchrg 8 26 0.1110 E94 ",
4908 "bndchrg 8 34 -0.2380 E94 ",
4909 "bndchrg 8 39 0.1490 E94 ",
4910 "bndchrg 8 40 -0.0110 E94 ",
4911 "bndchrg 8 43 -0.0730 E94 ",
4912 "bndchrg 8 45 -0.0070 E94 ",
4913 "bndchrg 8 46 -0.1760 E94 ",
4914 "bndchrg 8 55 -0.2230 E94 ",
4915 "bndchrg 8 56 -0.1850 E94 ",
4916 "bndchrg 9 9 0.0000 #C94 ",
4917 "bndchrg 9 10 0.0620 E94 ",
4918 "bndchrg 9 12 0.0020 E94 ",
4919 "bndchrg 9 15 0.0700 E94 ",
4920 "bndchrg 9 18 0.1880 E94 ",
4921 "bndchrg 9 19 0.4000 E94 ",
4922 "bndchrg 9 20 0.2870 E94 ",
4923 "bndchrg 9 25 0.3180 E94 ",
4924 "bndchrg 9 27 0.4000 #C94 ",
4925 "bndchrg 9 34 -0.1850 E94 ",
4926 "bndchrg 9 35 -0.1500 E94 ",
4927 "bndchrgdel 9 37 0.1790 E94 ",
4928 "bndchrgdel 9 39 0.2020 E94 ",
4929 "bndchrg 9 40 0.0420 E94 ",
4930 "bndchrg 9 41 0.3580 E94 ",
4931 "bndchrg 9 45 0.0460 E94 ",
4932 "bndchrg 9 53 0.3179 X94 ",
4933 "bndchrg 9 54 -0.1180 E94 ",
4934 "bndchrg 9 55 -0.1700 E94 ",
4935 "bndchrg 9 56 -0.1320 E94 ",
4936 "bndchrgdel 9 57 0.2010 E94 ",
4937 "bndchrg 9 62 0.1810 E94 ",
4938 "bndchrgdel 9 63 0.1260 E94 ",
4939 "bndchrgdel 9 64 0.1250 E94 ",
4940 "bndchrg 9 67 0.2070 E94 ",
4941 "bndchrgdel 9 78 0.1380 E94 ",
4942 "bndchrgdel 9 81 -0.2080 E94 ",
4943 "bndchrg 10 10 0.0000 #C94 ",
4944 "bndchrg 10 13 0.0060 E94 ",
4945 "bndchrg 10 14 0.0360 E94 ",
4946 "bndchrg 10 15 0.0080 E94 ",
4947 "bndchrg 10 17 0.0530 E94 ",
4948 "bndchrg 10 20 0.2250 E94 ",
4949 "bndchrg 10 22 0.1490 E94 ",
4950 "bndchrg 10 25 0.2560 E94 ",
4951 "bndchrg 10 26 0.1020 E94 ",
4952 "bndchrg 10 28 0.3700 #C94 ",
4953 "bndchrg 10 34 -0.2470 E94 ",
4954 "bndchrg 10 35 -0.2120 E94 ",
4955 "bndchrg 10 37 0.1170 E94 ",
4956 "bndchrg 10 39 0.1400 E94 ",
4957 "bndchrg 10 40 -0.0200 E94 ",
4958 "bndchrg 10 41 0.2960 E94 ",
4959 "bndchrg 10 45 -0.0160 E94 ",
4960 "bndchrg 10 63 0.0640 E94 ",
4961 "bndchrg 10 64 0.0630 E94 ",
4962 "bndchrg 11 20 0.2980 E94 ",
4963 "bndchrg 11 22 0.2317 X94 ",
4964 "bndchrg 11 25 0.3290 E94 ",
4965 "bndchrg 11 26 0.1750 E94 ",
4966 "bndchrg 11 37 0.1900 E94 ",
4967 "bndchrg 11 40 0.0530 E94 ",
4968 "bndchrg 12 15 0.0680 E94 ",
4969 "bndchrg 12 18 0.1860 E94 ",
4970 "bndchrg 12 19 0.3701 X94 ",
4971 "bndchrg 12 20 0.2900 #C94 ",
4972 "bndchrg 12 22 0.2273 X94 ",
4973 "bndchrg 12 25 0.3160 E94 ",
4974 "bndchrg 12 26 0.2112 X94 ",
4975 "bndchrg 12 37 0.1770 E94 ",
4976 "bndchrg 12 40 0.0400 E94 ",
4977 "bndchrg 12 57 0.1990 E94 ",
4978 "bndchrg 12 63 0.1240 E94 ",
4979 "bndchrg 12 64 0.1230 E94 ",
4980 "bndchrg 13 20 0.2190 E94 ",
4981 "bndchrg 13 22 0.1430 E94 ",
4982 "bndchrg 13 37 0.1110 E94 ",
4983 "bndchrg 13 64 0.0570 E94 ",
4984 "bndchrg 14 20 0.1890 E94 ",
4985 "bndchrg 14 37 0.0810 E94 ",
4986 "bndchrg 15 15 0.0000 #C94 ",
4987 "bndchrg 15 18 0.1180 E94 ",
4988 "bndchrg 15 19 0.3300 E94 ",
4989 "bndchrg 15 20 0.2170 E94 ",
4990 "bndchrg 15 22 0.1410 E94 ",
4991 "bndchrg 15 25 0.2480 E94 ",
4992 "bndchrg 15 26 0.0940 E94 ",
4993 "bndchrg 15 30 0.0700 E94 ",
4994 "bndchrg 15 37 0.1015 C94 ",
4995 "bndchrg 15 40 -0.0280 E94 ",
4996 "bndchrg 15 43 -0.0900 E94 ",
4997 "bndchrg 15 57 0.1310 E94 ",
4998 "bndchrg 15 63 0.0560 E94 ",
4999 "bndchrg 15 64 0.0550 E94 ",
5000 "bndchrg 15 71 0.1800 #C94 ",
5001 "bndchrg 16 16 0.0000 #C94 ",
5002 "bndchrg 17 17 0.0000 #X94 ",
5003 "bndchrg 17 20 0.1720 E94 ",
5004 "bndchrg 17 22 0.0960 E94 ",
5005 "bndchrg 17 37 0.0640 E94 ",
5006 "bndchrg 17 43 -0.1350 E94 ",
5007 "bndchrg 18 18 0.0000 #X94 ",
5008 "bndchrg 18 20 0.0990 E94 ",
5009 "bndchrg 18 22 0.0230 E94 ",
5010 "bndchrg 18 32 -0.6500 #X94 ",
5011 "bndchrg 18 37 -0.0090 E94 ",
5012 "bndchrg 18 39 0.0140 E94 ",
5013 "bndchrg 18 43 -0.1380 X94 ",
5014 "bndchrg 18 48 -0.5895 X94 ",
5015 "bndchrg 18 55 -0.3580 E94 ",
5016 "bndchrg 18 58 -0.3700 E94 ",
5017 "bndchrg 18 62 0.2099 X94 ",
5018 "bndchrg 18 63 -0.0620 E94 ",
5019 "bndchrg 18 64 -0.0630 E94 ",
5020 "bndchrg 18 80 -0.0260 E94 ",
5021 "bndchrg 19 19 0.0000 #X94 ",
5022 "bndchrg 19 20 -0.1130 E94 ",
5023 "bndchrg 19 37 -0.2210 E94 ",
5024 "bndchrg 19 40 -0.3580 E94 ",
5025 "bndchrg 19 63 -0.2740 E94 ",
5026 "bndchrg 19 75 -0.3490 E94 ",
5027 "bndchrg 20 20 0.0000 #C94 ",
5028 "bndchrg 20 22 -0.0760 E94 ",
5029 "bndchrg 20 25 0.0310 E94 ",
5030 "bndchrg 20 26 -0.1230 E94 ",
5031 "bndchrg 20 30 -0.1380 #C94 ",
5032 "bndchrg 20 34 -0.4720 E94 ",
5033 "bndchrg 20 37 -0.1080 E94 ",
5034 "bndchrg 20 40 -0.2450 E94 ",
5035 "bndchrg 20 41 0.0710 E94 ",
5036 "bndchrg 20 43 -0.3070 E94 ",
5037 "bndchrg 20 45 -0.2410 E94 ",
5038 "bndchrg 22 22 0.0000 #C94 ",
5039 "bndchrg 22 30 -0.0710 E94 ",
5040 "bndchrg 22 34 -0.3960 E94 ",
5041 "bndchrg 22 37 -0.0320 E94 ",
5042 "bndchrg 22 40 -0.1690 E94 ",
5043 "bndchrg 22 41 0.1470 E94 ",
5044 "bndchrg 22 43 -0.2310 E94 ",
5045 "bndchrg 22 45 -0.1650 E94 ",
5046 "bndchrg 23 39 -0.2700 #C94 ",
5047 "bndchrg 23 62 -0.4000 #X94 ",
5048 "bndchrg 23 67 -0.2920 E94 ",
5049 "bndchrg 23 68 -0.3600 #C94 ",
5050 "bndchrg 25 25 0.0000 #X94 ",
5051 "bndchrg 25 32 -0.7000 #X94 ",
5052 "bndchrg 25 37 -0.1390 E94 ",
5053 "bndchrg 25 39 -0.1160 E94 ",
5054 "bndchrg 25 40 -0.2760 E94 ",
5055 "bndchrg 25 43 -0.3380 E94 ",
5056 "bndchrg 25 57 -0.1170 E94 ",
5057 "bndchrg 25 63 -0.1920 E94 ",
5058 "bndchrg 25 71 -0.0362 X94 ",
5059 "bndchrg 25 72 -0.6773 X94 ",
5060 "bndchrg 26 26 0.0000 #X94 ",
5061 "bndchrg 26 34 -0.3490 E94 ",
5062 "bndchrg 26 37 0.0150 E94 ",
5063 "bndchrg 26 40 -0.1220 E94 ",
5064 "bndchrg 26 71 0.0960 X94 ",
5065 "bndchrg 28 40 -0.4000 #C94 ",
5066 "bndchrg 28 43 -0.4200 #X94 ",
5067 "bndchrg 28 48 -0.4000 #X94 ",
5068 "bndchrg 30 30 0.0000 #C94 ",
5069 "bndchrg 30 40 -0.0980 E94 ",
5070 "bndchrgdel 30 67 0.0670 E94 ",
5071 "bndchrg 31 70 -0.4300 #C94 ",
5072 "bndchrg 32 41 0.6500 #C94 ",
5073 "bndchrg 32 45 0.5200 #X94 ",
5074 "bndchrg 32 67 0.6330 E94 ",
5075 "bndchrg 32 68 0.7500 #C94 ",
5076 "bndchrg 32 69 0.7500 #C94 ",
5077 "bndchrg 32 73 0.3500 #X94 ",
5078 "bndchrg 32 77 0.4500 #X94 ",
5079 "bndchrg 32 82 0.6330 E94 ",
5080 "bndchrg 34 36 0.4500 #C94 ",
5081 "bndchrg 34 37 0.3640 E94 ",
5082 "bndchrg 34 43 0.1650 E94 ",
5083 "bndchrg 35 37 0.3290 E94 ",
5084 "bndchrg 35 63 0.2760 E94 ",
5085 "bndchrg 36 54 -0.4000 #C94 ",
5086 "bndchrg 36 55 -0.4500 #C94 ",
5087 "bndchrg 36 56 -0.4500 #C94 ",
5088 "bndchrg 36 58 -0.4570 E94 ",
5089 "bndchrgdel 36 58 -0.4500 #C94 ",
5090 "bndchrg 36 81 -0.4500 #C94 ",
5091 "bndchrg 37 37 0.0000 #C94 ",
5092 "bndchrgdel 37 37 0.0000 #C94 ",
5093 "bndchrg 37 38 -0.3100 #C94 ",
5094 "bndchrg 37 39 0.0230 E94 ",
5095 "bndchrgdel 37 39 0.0230 E94 ",
5096 "bndchrg 37 40 -0.1000 #C94 ",
5097 "bndchrg 37 41 0.1790 E94 ",
5098 "bndchrg 37 43 -0.1990 E94 ",
5099 "bndchrg 37 45 -0.1330 E94 ",
5100 "bndchrg 37 46 -0.3020 E94 ",
5101 "bndchrg 37 55 -0.3490 E94 ",
5102 "bndchrg 37 56 -0.3110 E94 ",
5103 "bndchrgdel 37 57 0.0220 E94 ",
5104 "bndchrg 37 58 -0.3610 E94 ",
5105 "bndchrgdel 37 58 -0.3610 E94 ",
5106 "bndchrgdel 37 58 -0.3500 #C94 ",
5107 "bndchrg 37 61 -0.1380 E94 ",
5108 "bndchrg 37 62 0.0020 E94 ",
5109 "bndchrg 37 63 0.0000 #C94 ",
5110 "bndchrgdel 37 63 -0.0530 E94 ",
5111 "bndchrg 37 64 0.0000 #C94 ",
5112 "bndchrgdel 37 64 -0.0540 E94 ",
5113 "bndchrgdel 37 67 0.0280 E94 ",
5114 "bndchrg 37 69 -0.0895 C94 ",
5115 "bndchrg 37 78 -0.0410 E94 ",
5116 "bndchrg 37 81 -0.3870 E94 ",
5117 "bndchrgdel 37 81 -0.3870 E94 ",
5118 "bndchrg 38 38 0.0000 #C94 ",
5119 "bndchrg 38 63 0.2570 E94 ",
5120 "bndchrg 38 64 0.2560 E94 ",
5121 "bndchrg 38 69 0.3380 E94 ",
5122 "bndchrg 38 78 0.2690 E94 ",
5123 "bndchrgdel 39 39 0.0000 #C94 ",
5124 "bndchrg 39 40 -0.1600 E94 ",
5125 "bndchrg 39 45 -0.1560 E94 ",
5126 "bndchrg 39 63 -0.1516 C94 ",
5127 "bndchrgdel 39 63 -0.0760 E94 ",
5128 "bndchrg 39 64 -0.0770 E94 ",
5129 "bndchrgdel 39 64 -0.0770 E94 ",
5130 "bndchrg 39 65 -0.4180 C94 ",
5131 "bndchrg 39 78 -0.0640 E94 ",
5132 "bndchrg 40 40 0.0000 #C94 ",
5133 "bndchrg 40 45 0.0040 E94 ",
5134 "bndchrg 40 46 -0.1650 E94 ",
5135 "bndchrg 40 54 -0.1600 E94 ",
5136 "bndchrg 40 63 0.0840 E94 ",
5137 "bndchrg 40 64 0.0830 E94 ",
5138 "bndchrg 40 78 0.0960 E94 ",
5139 "bndchrg 41 41 0.0000 #C94 ",
5140 "bndchrg 41 55 -0.5280 E94 ",
5141 "bndchrg 41 62 -0.1770 E94 ",
5142 "bndchrg 41 72 -0.5000 #X94 ",
5143 "bndchrg 41 80 -0.1960 E94 ",
5144 "bndchrg 42 61 0.4920 E94 ",
5145 "bndchrg 43 43 0.0000 #X94 ",
5146 "bndchrg 43 45 0.0660 E94 ",
5147 "bndchrg 43 64 0.1450 E94 ",
5148 "bndchrg 44 63 0.0400 #C94 ",
5149 "bndchrg 44 65 -0.2207 C94 ",
5150 "bndchrg 44 78 0.0690 E94 ",
5151 "bndchrg 44 80 0.0930 E94 ",
5152 "bndchrg 45 63 0.0800 E94 ",
5153 "bndchrg 45 64 0.0790 E94 ",
5154 "bndchrg 45 78 0.0920 E94 ",
5155 "bndchrg 47 53 0.3700 #X94 ",
5156 "bndchrg 49 50 0.5673 C94 ",
5157 "bndchrg 51 52 0.5000 #X94 ",
5158 "bndchrg 55 57 0.3544 C94 ",
5159 "bndchrg 55 62 0.3510 E94 ",
5160 "bndchrg 55 64 0.2950 E94 ",
5161 "bndchrg 55 80 0.3320 E94 ",
5162 "bndchrg 56 57 0.4000 #C94 ",
5163 "bndchrg 56 63 0.2580 E94 ",
5164 "bndchrg 56 80 0.2700 E94 ",
5165 "bndchrgdel 57 58 -0.4000 #C94 ",
5166 "bndchrgdel 57 63 -0.0750 E94 ",
5167 "bndchrgdel 57 64 -0.0760 E94 ",
5168 "bndchrg 58 63 0.3080 E94 ",
5169 "bndchrg 58 64 0.3070 E94 ",
5170 "bndchrg 59 63 0.1400 #C94 ",
5171 "bndchrg 59 65 -0.1209 C94 ",
5172 "bndchrg 59 78 0.1690 E94 ",
5173 "bndchrg 59 80 0.1930 E94 ",
5174 "bndchrg 59 82 0.2380 E94 ",
5175 "bndchrg 60 61 0.3700 #X94 ",
5176 "bndchrg 62 63 -0.0550 E94 ",
5177 "bndchrg 62 64 -0.0560 E94 ",
5178 "bndchrg 63 63 0.0000 #C94 ",
5179 "bndchrgdel 63 63 0.0000 #C94 ",
5180 "bndchrg 63 64 0.0000 #C94 ",
5181 "bndchrg 63 66 -0.3381 C94 ",
5182 "bndchrg 63 72 -0.4000 E94 ",
5183 "bndchrg 63 78 0.0120 E94 ",
5184 "bndchrg 63 81 -0.3340 E94 ",
5185 "bndchrg 64 64 0.0000 #C94 ",
5186 "bndchrg 64 65 -0.2888 C94 ",
5187 "bndchrg 64 66 -0.2272 C94 ",
5188 "bndchrg 64 78 0.0130 E94 ",
5189 "bndchrg 64 81 -0.3330 E94 ",
5190 "bndchrg 64 82 0.0820 E94 ",
5191 "bndchrg 65 66 0.0000 #C94 ",
5192 "bndchrg 65 78 0.3070 E94 ",
5193 "bndchrg 65 81 -0.0390 E94 ",
5194 "bndchrg 65 82 0.3760 E94 ",
5195 "bndchrg 66 66 0.0000 #C94 ",
5196 "bndchrg 66 78 0.2990 E94 ",
5197 "bndchrg 66 81 -0.0470 E94 ",
5198 "bndchrg 69 100 -0.7500 BPH",
5199 "bndchrg 25 101 -0.7000 BPH",
5200 "bndchrg 71 75 -0.0958 X94 ",
5201 "bndchrg 72 73 0.4500 #X94 ",
5202 "bndchrg 76 76 0.0000 #X94 ",
5203 "bndchrg 76 78 0.4000 #X94 ",
5204 "bndchrg 78 78 0.0000 #C94 ",
5205 "bndchrgdel 78 78 0.0000 #C94 ",
5206 "bndchrg 78 79 -0.3030 E94 ",
5207 "bndchrg 78 81 -0.3500 #C94 ",
5208 "bndchrg 79 81 -0.0430 E94 ",
5209 "bndchrg 80 81 -0.4000 #C94 ",
5210 "bndchrg 80 81 -0.4000 #C94 ",
5211 ""
5212 };