0 mol 8 unq 0 iso 0 dist 6.82379 5.7531 7.12263 4.94497 8.77457 7.35217 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 11.0223 5.00267 4.94497 8.77457 11.1833 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.24978 4.88215 7.12263 5.61772 8.77457 7.35217 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.24978 6.80407 5.00267 5.61772 8.77457 11.1833 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 9.66439 6.36434 7.12263 10.4848 8.77457 7.35217 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 9.66439 8.44094 5.00267 10.4848 8.77457 11.1833 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 7.3915 8.79272 7.12263 14.1378 8.77457 7.35217 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 7.3915 6.32152 5.00267 14.1378 8.77457 11.1833 numMergedOcc 0
8 mol 9 unq 0 iso 0 dist 7.05346 6.119 5.55437 8.50424 8.076 7.28672 numMergedOcc 0
9 mol 9 unq 1 iso 0 dist 7.9944 10.4817 5.38458 6.02809 6.32226 5.60208 numMergedOcc 0
10 mol 9 unq 2 iso 0 dist 7.032 7.51034 5.38458 4.98827 6.32226 5.60208 numMergedOcc 0
11 mol 13 unq 0 iso 0 dist 5.78148 10.9884 9.10587 4.56335 7.98679 15.0583 numMergedOcc 0
12 mol 13 unq 1 iso 0 dist 6.26071 7.39275 9.10587 8.87621 7.98679 15.0583 numMergedOcc 0
13 mol 13 unq 2 iso 0 dist 8.43325 7.82977 9.10587 12.9999 7.98679 15.0583 numMergedOcc 0
14 mol 19 unq 0 iso 0 dist 7.48847 8.19436 7.69625 6.42867 6.39966 7.71716 numMergedOcc 0
15 mol 19 unq 1 iso 0 dist 6.92532 10.3648 7.69625 4.97119 6.39966 7.71716 numMergedOcc 0
16 mol 19 unq 2 iso 0 dist 6.36455 6.49317 7.69625 6.01808 6.39966 7.71716 numMergedOcc 0
17 mol 24 unq 0 iso 0 dist 6.60423 6.58998 9.38831 4.32034 9.69752 10.025 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 6.60423 6.58998 9.38831 8.52463 9.36461 6.99746 numMergedOcc 0
19 mol 24 unq 2 iso 0 dist 7.83786 11.0493 9.38831 9.6469 9.69752 10.025 numMergedOcc 0
20 mol 24 unq 3 iso 0 dist 7.83786 11.0493 9.38831 14.6654 9.36461 6.99746 numMergedOcc 0
21 mol 24 unq 4 iso 0 dist 4.93188 9.48345 9.40479 5.11617 4.90592 6.99746 numMergedOcc 0
22 mol 24 unq 5 iso 0 dist 4.93188 9.48345 9.40479 10.8238 8.16324 7.05541 numMergedOcc 0
23 mol 24 unq 6 iso 0 dist 4.93188 14.4162 9.58012 5.11617 4.90592 11.8996 numMergedOcc 0
24 mol 24 unq 7 iso 0 dist 4.93188 14.4162 9.58012 10.8238 8.16324 9.15493 numMergedOcc 0
25 mol 24 unq 8 iso 0 dist 9.24958 13.1456 9.40479 13.2229 4.90592 6.99746 numMergedOcc 0
26 mol 24 unq 9 iso 0 dist 9.24958 13.1456 9.40479 6.7828 8.16324 7.05541 numMergedOcc 0
27 mol 24 unq 10 iso 0 dist 9.24958 10.0655 9.58012 13.2229 4.90592 11.8996 numMergedOcc 0
28 mol 24 unq 11 iso 0 dist 9.24958 10.0655 9.58012 6.7828 8.16324 9.15493 numMergedOcc 0
29 mol 28 unq 0 iso 0 dist 7.28416 4.74049 9.72965 8.4285 7.40415 12.67 numMergedOcc 0
30 mol 28 unq 1 iso 0 dist 7.28416 10.2179 5.63315 8.4285 7.40415 7.00226 numMergedOcc 0
31 mol 28 unq 2 iso 0 dist 7.28416 7.01194 9.8465 8.4285 7.40415 5.93722 numMergedOcc 0
32 mol 53 unq 0 iso 0 dist 7.09169 8.19773 4.75776 5.09224 7.75295 5.68983 numMergedOcc 0
33 mol 73 unq 0 iso 0 dist 8.03303 8.92736 8.58543 14.6243 7.62738 15.4757 numMergedOcc 0
34 mol 92 unq 0 iso 0 dist 8.86674 6.89636 8.48184 9.66102 7.39179 13.3326 numMergedOcc 0
35 mol 92 unq 1 iso 0 dist 8.86674 6.09514 9.01011 9.66102 7.39179 9.01596 numMergedOcc 0
36 mol 92 unq 2 iso 0 dist 8.65802 12.1157 8.03028 13.534 8.57827 12.6909 numMergedOcc 0
37 mol 92 unq 3 iso 0 dist 8.65802 12.1157 8.03028 5.83515 7.94453 7.57205 numMergedOcc 0
38 mol 92 unq 4 iso 0 dist 8.65802 7.23437 7.39754 13.534 8.57827 15.1698 numMergedOcc 0
39 mol 92 unq 5 iso 0 dist 8.65802 7.23437 7.39754 5.83515 7.94453 6.82081 numMergedOcc 0
40 mol 93 unq 0 iso 0 dist 9.81831 11.6865 5.51624 4.4022 7.62611 11.4196 numMergedOcc 0
41 mol 93 unq 1 iso 0 dist 9.81831 12.2598 7.8674 4.4022 7.62611 8.05783 numMergedOcc 0
42 mol 93 unq 2 iso 0 dist 9.12858 7.64463 5.51624 8.96224 7.62611 11.4196 numMergedOcc 0
43 mol 93 unq 3 iso 0 dist 9.12858 14.8533 7.8674 8.96224 7.62611 8.05783 numMergedOcc 0
44 mol 93 unq 4 iso 0 dist 9.4523 8.29171 5.51624 10.3849 7.62611 11.4196 numMergedOcc 0
45 mol 93 unq 5 iso 0 dist 9.4523 12.7936 7.8674 10.3849 7.62611 8.05783 numMergedOcc 0
46 mol 98 unq 0 iso 0 dist 5.88354 10.7735 7.63183 4.67519 6.62972 9.50457 numMergedOcc 0
47 mol 98 unq 1 iso 0 dist 7.89665 9.38161 7.63183 6.6076 6.62972 9.50457 numMergedOcc 0
48 mol 98 unq 2 iso 0 dist 5.39354 10.5878 7.63183 10.6513 6.62972 9.50457 numMergedOcc 0
49 mol 98 unq 3 iso 0 dist 5.74854 13.1711 7.63183 10.4027 6.62972 9.50457 numMergedOcc 0
50 mol 98 unq 4 iso 0 dist 8.76566 7.42291 7.63183 12.3568 6.62972 9.50457 numMergedOcc 0
51 mol 98 unq 5 iso 0 dist 8.8368 8.01486 7.63183 14.5457 6.62972 9.50457 numMergedOcc 0
52 mol 109 unq 0 iso 0 dist 8.67766 11.8348 9.92553 7.20706 6.76575 10.9279 numMergedOcc 0
53 mol 109 unq 1 iso 0 dist 8.0831 15.0307 9.92553 5.35728 6.76575 10.9279 numMergedOcc 0
54 mol 115 unq 0 iso 0 dist 5.74857 7.3094 8.71286 5.22052 8.85881 9.18958 numMergedOcc 0
55 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 7.20179 8.8562 6.96805 numMergedOcc 0
56 mol 119 unq 1 iso 0 dist 7.77116 4.91132 8.03035 9.89358 7.91683 13.3975 numMergedOcc 0
57 mol 119 unq 2 iso 0 dist 7.77116 6.08167 7.6968 7.20179 8.8562 4.86811 numMergedOcc 0
58 mol 119 unq 3 iso 0 dist 7.77116 6.08167 7.6968 9.89358 7.91683 8.00229 numMergedOcc 0
59 mol 131 unq 0 iso 0 dist 9.15431 7.21005 7.76594 6.51918 5.44303 5.67023 numMergedOcc 0
60 mol 131 unq 1 iso 0 dist 9.15431 7.21005 7.76594 9.60968 8.50562 10.9757 numMergedOcc 0
61 mol 131 unq 2 iso 0 dist 6.92648 11.5688 7.76594 7.92788 5.44303 5.67023 numMergedOcc 0
62 mol 131 unq 3 iso 0 dist 6.92648 11.5688 7.76594 8.23791 8.50562 10.9757 numMergedOcc 0
63 mol 131 unq 4 iso 0 dist 9.29384 15.7796 7.76594 13.1439 5.44303 5.67023 numMergedOcc 0
64 mol 131 unq 5 iso 0 dist 9.29384 15.7796 7.76594 13.7237 8.50562 10.9757 numMergedOcc 0
65 mol 141 unq 0 iso 0 dist 6.69515 9.76015 8.26172 10.1386 4.46777 6.52248 numMergedOcc 0
66 mol 141 unq 1 iso 0 dist 6.69515 9.76015 8.26172 7.42649 6.94988 4.98952 numMergedOcc 0
67 mol 141 unq 2 iso 0 dist 7.86572 8.24418 8.26172 10.1432 4.46777 6.52248 numMergedOcc 0
68 mol 141 unq 3 iso 0 dist 7.86572 8.24418 8.26172 9.43674 6.94988 4.98952 numMergedOcc 0
69 mol 147 unq 0 iso 0 dist 5.49226 9.02993 9.23528 11.1681 7.25644 15.9875 numMergedOcc 0
70 mol 147 unq 1 iso 0 dist 6.28351 14.4247 9.23528 5.50251 7.25644 15.9875 numMergedOcc 0
71 mol 154 unq 0 iso 0 dist 7.72144 11.0347 9.71408 5.27847 6.51014 9.78297 numMergedOcc 0
72 mol 156 unq 0 iso 0 dist 5.38091 6.44255 5.90883 5.81563 7.46845 11.3995 numMergedOcc 0
73 mol 156 unq 1 iso 0 dist 5.38091 5.82636 8.06913 5.81563 7.46845 11.6326 numMergedOcc 0
74 mol 162 unq 0 iso 0 dist 6.20182 6.69868 8.53374 4.20425 7.14263 3.76192 numMergedOcc 0
75 mol 162 unq 1 iso 0 dist 6.20182 6.69868 8.53374 6.07158 8.57005 11.41 numMergedOcc 0
76 mol 175 unq 0 iso 0 dist 8.0154 12.3408 7.32419 6.29885 8.05247 11.2348 numMergedOcc 0
77 mol 175 unq 1 iso 0 dist 8.0154 12.3408 7.32419 7.27408 9.71028 8.94702 numMergedOcc 0
78 mol 175 unq 2 iso 0 dist 8.0154 8.68081 8.31961 6.29885 8.05247 9.23758 numMergedOcc 0
79 mol 175 unq 3 iso 0 dist 8.0154 8.68081 8.31961 7.27408 9.71028 4.06277 numMergedOcc 0
80 mol 186 unq 0 iso 0 dist 9.56197 9.27818 7.55358 9.74148 7.46987 13.1254 numMergedOcc 0
81 mol 186 unq 1 iso 0 dist 9.56197 9.55926 7.60991 9.74148 7.46987 8.74186 numMergedOcc 0
82 mol 186 unq 2 iso 0 dist 7.24795 13.0197 7.55358 7.30024 7.46987 13.1254 numMergedOcc 0
83 mol 186 unq 3 iso 0 dist 7.24795 12.9082 7.60991 7.30024 7.46987 8.74186 numMergedOcc 0
84 mol 186 unq 4 iso 0 dist 8.64409 4.37002 7.55358 11.6919 7.46987 13.1254 numMergedOcc 0
85 mol 186 unq 5 iso 0 dist 8.64409 4.64235 7.60991 11.6919 7.46987 8.74186 numMergedOcc 0
86 mol 186 unq 6 iso 0 dist 7.60202 9.72941 7.55358 5.3967 7.46987 13.1254 numMergedOcc 0
87 mol 186 unq 7 iso 0 dist 7.60202 5.39885 7.60991 5.3967 7.46987 8.74186 numMergedOcc 0
88 mol 186 unq 8 iso 0 dist 9.83476 6.87725 8.12349 10.5063 4.5271 6.16503 numMergedOcc 0
89 mol 186 unq 9 iso 0 dist 9.83476 6.87725 8.12349 14.4429 7.02575 9.6472 numMergedOcc 0
90 mol 194 unq 0 iso 0 dist 6.26839 6.66155 5.52678 11.6598 5.68348 8.43261 numMergedOcc 0
91 mol 194 unq 1 iso 0 dist 6.26839 5.4499 9.81666 11.6598 5.68348 13.8424 numMergedOcc 0
92 mol 194 unq 2 iso 0 dist 8.12346 6.12973 5.52678 12.0887 5.68348 8.43261 numMergedOcc 0
93 mol 194 unq 3 iso 0 dist 8.12346 11.0239 9.81666 12.0887 5.68348 13.8424 numMergedOcc 0
94 mol 194 unq 4 iso 0 dist 8.83356 13.0333 5.52678 7.11753 5.68348 8.43261 numMergedOcc 0
95 mol 194 unq 5 iso 0 dist 8.83356 18.6469 9.81666 7.11753 5.68348 13.8424 numMergedOcc 0
96 mol 194 unq 6 iso 0 dist 8.2654 10.1796 5.52678 12.8755 5.68348 8.43261 numMergedOcc 0
97 mol 194 unq 7 iso 0 dist 8.2654 13.5457 9.81666 12.8755 5.68348 13.8424 numMergedOcc 0
98 mol 218 unq 0 iso 0 dist 6.29367 6.90702 8.93185 4.92618 8.3087 9.99277 numMergedOcc 0
99 mol 218 unq 1 iso 0 dist 8.86175 9.46742 9.06334 4.92618 9.32945 7.21841 numMergedOcc 0
100 mol 218 unq 2 iso 0 dist 5.76954 10.4526 8.93185 7.84019 8.3087 9.99277 numMergedOcc 0
101 mol 218 unq 3 iso 0 dist 6.29511 11.438 9.06334 7.84019 9.32945 7.21841 numMergedOcc 0
102 mol 218 unq 4 iso 0 dist 9.20961 8.94041 8.93185 10.9043 8.3087 9.99277 numMergedOcc 0
103 mol 225 unq 0 iso 0 dist 6.6561 4.76151 6.53728 7.17211 8.20162 6.59663 numMergedOcc 0
104 mol 225 unq 1 iso 0 dist 8.87609 11.5135 6.53728 5.76292 9.23935 14.3973 numMergedOcc 0
105 mol 225 unq 2 iso 0 dist 8.87609 11.5135 6.53728 8.21235 7.77552 13.923 numMergedOcc 0
106 mol 252 unq 0 iso 0 dist 6.86945 7.63376 8.55481 6.35641 7.39391 12.0545 numMergedOcc 0
107 mol 258 unq 0 iso 0 dist 6.70815 6.6525 6.47194 10.8558 9.91199 8.09074 numMergedOcc 0
108 mol 258 unq 1 iso 0 dist 7.99477 5.27959 6.47194 13.2927 9.91199 8.09074 numMergedOcc 0
109 mol 264 unq 0 iso 0 dist 6.04162 6.84156 5.74568 6.26382 7.21655 11.5512 numMergedOcc 0
110 mol 264 unq 1 iso 0 dist 6.14323 9.37297 5.74568 5.24812 7.21655 11.5512 numMergedOcc 0
