0 mol 24 unq 0 iso 0 dist 8.70827 6.6219 4.04519 5.68215 13.7009 10.512 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.70827 5.68215 13.7009 6.6219 4.04519 10.512 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.73939 6.6219 12.5545 5.68215 4.08755 10.512 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.73939 5.68215 4.08755 6.6219 12.5545 10.512 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.60554 8.09311 15.4445 9.05357 11.8971 9.95274 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 8.60554 9.05357 11.8971 8.09311 15.4445 9.95274 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.44664 8.09311 3.84336 9.05357 7.01276 9.95274 numMergedOcc 0
7 mol 24 unq 3 iso 1 dist 8.44664 9.05357 7.01276 8.09311 3.84336 9.95274 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 9.44691 8.09311 13.0295 9.05357 4.02219 9.95274 numMergedOcc 0
9 mol 24 unq 4 iso 1 dist 9.44691 9.05357 4.02219 8.09311 13.0295 9.95274 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 9.12854 8.87744 9.86385 7.27472 10.4353 3.73215 numMergedOcc 0
11 mol 24 unq 5 iso 1 dist 9.12854 7.27472 10.4353 8.87744 9.86385 3.73215 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 6.16347 4.79873 5.46578 9.48085 9.62058 12.7147 numMergedOcc 0
13 mol 25 unq 0 iso 1 dist 6.16347 9.48085 9.62058 4.79873 5.46578 12.7147 numMergedOcc 0
14 mol 25 unq 1 iso 0 dist 7.45383 7.52933 11.0227 6.55597 4.98822 6.53015 numMergedOcc 0
15 mol 25 unq 1 iso 1 dist 7.45383 6.55597 4.98822 7.52933 11.0227 6.53015 numMergedOcc 0
16 mol 25 unq 2 iso 0 dist 7.45383 7.52933 11.0227 9.71956 10.3547 11.8984 numMergedOcc 0
17 mol 25 unq 2 iso 1 dist 7.45383 9.71956 10.3547 7.52933 11.0227 11.8984 numMergedOcc 0
18 mol 25 unq 3 iso 0 dist 7.45383 7.52933 11.0227 7.07751 7.91914 8.64476 numMergedOcc 0
19 mol 25 unq 3 iso 1 dist 7.45383 7.07751 7.91914 7.52933 11.0227 8.64476 numMergedOcc 0
20 mol 25 unq 4 iso 0 dist 7.45383 7.52933 11.0227 8.23761 11.7069 4.64241 numMergedOcc 0
21 mol 25 unq 4 iso 1 dist 7.45383 8.23761 11.7069 7.52933 11.0227 4.64241 numMergedOcc 0
22 mol 25 unq 5 iso 0 dist 7.45383 7.52933 11.0227 9.49421 9.62058 16.0628 numMergedOcc 0
23 mol 25 unq 5 iso 1 dist 7.45383 9.49421 9.62058 7.52933 11.0227 16.0628 numMergedOcc 0
24 mol 25 unq 2 iso 0 dist 7.45383 6.55597 4.98822 9.71956 10.3547 9.19736 numMergedOcc 0
25 mol 25 unq 2 iso 1 dist 7.45383 9.71956 10.3547 6.55597 4.98822 9.19736 numMergedOcc 0
26 mol 25 unq 3 iso 0 dist 7.45383 6.55597 4.98822 7.07751 7.91914 5.78812 numMergedOcc 0
27 mol 25 unq 3 iso 1 dist 7.45383 7.07751 7.91914 6.55597 4.98822 5.78812 numMergedOcc 0
28 mol 25 unq 4 iso 0 dist 7.45383 6.55597 4.98822 8.23761 11.7069 7.36721 numMergedOcc 0
29 mol 25 unq 4 iso 1 dist 7.45383 8.23761 11.7069 6.55597 4.98822 7.36721 numMergedOcc 0
30 mol 25 unq 5 iso 0 dist 7.45383 6.55597 4.98822 9.49421 9.62058 12.1732 numMergedOcc 0
31 mol 25 unq 5 iso 1 dist 7.45383 9.49421 9.62058 6.55597 4.98822 12.1732 numMergedOcc 0
32 mol 25 unq 3 iso 0 dist 7.45383 9.71956 10.3547 7.07751 7.91914 3.56099 numMergedOcc 0
33 mol 25 unq 3 iso 1 dist 7.45383 7.07751 7.91914 9.71956 10.3547 3.56099 numMergedOcc 0
34 mol 25 unq 4 iso 0 dist 7.45383 9.71956 10.3547 8.23761 11.7069 8.42944 numMergedOcc 0
35 mol 25 unq 4 iso 1 dist 7.45383 8.23761 11.7069 9.71956 10.3547 8.42944 numMergedOcc 0
36 mol 25 unq 5 iso 0 dist 7.45383 9.71956 10.3547 9.49421 9.62058 8.99147 numMergedOcc 0
37 mol 25 unq 5 iso 1 dist 7.45383 9.49421 9.62058 9.71956 10.3547 8.99147 numMergedOcc 0
38 mol 25 unq 4 iso 0 dist 7.45383 7.07751 7.91914 8.23761 11.7069 5.99526 numMergedOcc 0
39 mol 25 unq 4 iso 1 dist 7.45383 8.23761 11.7069 7.07751 7.91914 5.99526 numMergedOcc 0
40 mol 25 unq 5 iso 0 dist 7.45383 7.07751 7.91914 9.49421 9.62058 9.54872 numMergedOcc 0
41 mol 25 unq 5 iso 1 dist 7.45383 9.49421 9.62058 7.07751 7.91914 9.54872 numMergedOcc 0
42 mol 25 unq 5 iso 0 dist 7.45383 8.23761 11.7069 9.49421 9.62058 14.6175 numMergedOcc 0
43 mol 25 unq 5 iso 1 dist 7.45383 9.49421 9.62058 8.23761 11.7069 14.6175 numMergedOcc 0
44 mol 25 unq 6 iso 0 dist 9.01548 7.52933 15.1255 6.55597 13.4321 6.53015 numMergedOcc 0
45 mol 25 unq 6 iso 1 dist 9.01548 6.55597 13.4321 7.52933 15.1255 6.53015 numMergedOcc 0
46 mol 25 unq 7 iso 0 dist 9.01548 7.52933 15.1255 9.71956 8.84447 11.8984 numMergedOcc 0
47 mol 25 unq 7 iso 1 dist 9.01548 9.71956 8.84447 7.52933 15.1255 11.8984 numMergedOcc 0
48 mol 25 unq 8 iso 0 dist 9.01548 7.52933 15.1255 7.07751 9.66912 8.64476 numMergedOcc 0
49 mol 25 unq 8 iso 1 dist 9.01548 7.07751 9.66912 7.52933 15.1255 8.64476 numMergedOcc 0
50 mol 25 unq 9 iso 0 dist 9.01548 7.52933 15.1255 8.23761 13.1117 4.64241 numMergedOcc 0
51 mol 25 unq 9 iso 1 dist 9.01548 8.23761 13.1117 7.52933 15.1255 4.64241 numMergedOcc 0
52 mol 25 unq 10 iso 0 dist 9.01548 7.52933 15.1255 9.49421 5.38592 16.0628 numMergedOcc 0
53 mol 25 unq 10 iso 1 dist 9.01548 9.49421 5.38592 7.52933 15.1255 16.0628 numMergedOcc 0
54 mol 25 unq 7 iso 0 dist 9.01548 6.55597 13.4321 9.71956 8.84447 9.19736 numMergedOcc 0
55 mol 25 unq 7 iso 1 dist 9.01548 9.71956 8.84447 6.55597 13.4321 9.19736 numMergedOcc 0
56 mol 25 unq 8 iso 0 dist 9.01548 6.55597 13.4321 7.07751 9.66912 5.78812 numMergedOcc 0
57 mol 25 unq 8 iso 1 dist 9.01548 7.07751 9.66912 6.55597 13.4321 5.78812 numMergedOcc 0
58 mol 25 unq 9 iso 0 dist 9.01548 6.55597 13.4321 8.23761 13.1117 7.36721 numMergedOcc 0
59 mol 25 unq 9 iso 1 dist 9.01548 8.23761 13.1117 6.55597 13.4321 7.36721 numMergedOcc 0
60 mol 25 unq 10 iso 0 dist 9.01548 6.55597 13.4321 9.49421 5.38592 12.1732 numMergedOcc 0
61 mol 25 unq 10 iso 1 dist 9.01548 9.49421 5.38592 6.55597 13.4321 12.1732 numMergedOcc 0
62 mol 25 unq 8 iso 0 dist 9.01548 9.71956 8.84447 7.07751 9.66912 3.56099 numMergedOcc 0
63 mol 25 unq 8 iso 1 dist 9.01548 7.07751 9.66912 9.71956 8.84447 3.56099 numMergedOcc 0
64 mol 25 unq 9 iso 0 dist 9.01548 9.71956 8.84447 8.23761 13.1117 8.42944 numMergedOcc 0
65 mol 25 unq 9 iso 1 dist 9.01548 8.23761 13.1117 9.71956 8.84447 8.42944 numMergedOcc 0
66 mol 25 unq 10 iso 0 dist 9.01548 9.71956 8.84447 9.49421 5.38592 8.99147 numMergedOcc 0
67 mol 25 unq 10 iso 1 dist 9.01548 9.49421 5.38592 9.71956 8.84447 8.99147 numMergedOcc 0
68 mol 25 unq 9 iso 0 dist 9.01548 7.07751 9.66912 8.23761 13.1117 5.99526 numMergedOcc 0
69 mol 25 unq 9 iso 1 dist 9.01548 8.23761 13.1117 7.07751 9.66912 5.99526 numMergedOcc 0
70 mol 25 unq 10 iso 0 dist 9.01548 7.07751 9.66912 9.49421 5.38592 9.54872 numMergedOcc 0
71 mol 25 unq 10 iso 1 dist 9.01548 9.49421 5.38592 7.07751 9.66912 9.54872 numMergedOcc 0
72 mol 25 unq 10 iso 0 dist 9.01548 8.23761 13.1117 9.49421 5.38592 14.6175 numMergedOcc 0
73 mol 25 unq 10 iso 1 dist 9.01548 9.49421 5.38592 8.23761 13.1117 14.6175 numMergedOcc 0
74 mol 25 unq 11 iso 0 dist 7.92503 4.79873 11.0175 9.48085 10.2758 12.7147 numMergedOcc 0
75 mol 25 unq 11 iso 1 dist 7.92503 9.48085 10.2758 4.79873 11.0175 12.7147 numMergedOcc 0
76 mol 58 unq 0 iso 0 dist 7.68678 8.96727 5.66912 8.01308 5.76523 6.20884 numMergedOcc 0
77 mol 58 unq 0 iso 1 dist 7.68678 8.01308 5.76523 8.96727 5.66912 6.20884 numMergedOcc 0
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79 mol 73 unq 0 iso 1 dist 6.02816 6.45841 6.26495 8.72682 13.952 11.9298 numMergedOcc 0
80 mol 73 unq 1 iso 0 dist 6.02816 8.72682 13.952 5.61588 8.26195 9.76138 numMergedOcc 0
81 mol 73 unq 1 iso 1 dist 6.02816 5.61588 8.26195 8.72682 13.952 9.76138 numMergedOcc 0
82 mol 73 unq 2 iso 0 dist 6.02816 8.72682 13.952 7.83244 12.382 5.81659 numMergedOcc 0
83 mol 73 unq 2 iso 1 dist 6.02816 7.83244 12.382 8.72682 13.952 5.81659 numMergedOcc 0
84 mol 73 unq 1 iso 0 dist 6.02816 6.45841 6.26495 5.61588 8.26195 3.32668 numMergedOcc 0
85 mol 73 unq 1 iso 1 dist 6.02816 5.61588 8.26195 6.45841 6.26495 3.32668 numMergedOcc 0
86 mol 73 unq 2 iso 0 dist 6.02816 6.45841 6.26495 7.83244 12.382 8.07648 numMergedOcc 0
87 mol 73 unq 2 iso 1 dist 6.02816 7.83244 12.382 6.45841 6.26495 8.07648 numMergedOcc 0
88 mol 73 unq 2 iso 0 dist 6.02816 5.61588 8.26195 7.83244 12.382 5.30471 numMergedOcc 0
89 mol 73 unq 2 iso 1 dist 6.02816 7.83244 12.382 5.61588 8.26195 5.30471 numMergedOcc 0
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91 mol 95 unq 0 iso 1 dist 9.49454 5.75428 10.4348 8.27883 15.7954 6.27231 numMergedOcc 0
92 mol 95 unq 1 iso 0 dist 9.49454 8.27883 15.7954 8.57395 5.88327 11.734 numMergedOcc 0
93 mol 95 unq 1 iso 1 dist 9.49454 8.57395 5.88327 8.27883 15.7954 11.734 numMergedOcc 0
94 mol 95 unq 2 iso 0 dist 9.49454 8.27883 15.7954 9.85409 3.96826 17.4304 numMergedOcc 0
95 mol 95 unq 2 iso 1 dist 9.49454 9.85409 3.96826 8.27883 15.7954 17.4304 numMergedOcc 0
96 mol 95 unq 1 iso 0 dist 9.49454 5.75428 10.4348 8.57395 5.88327 6.95874 numMergedOcc 0
97 mol 95 unq 1 iso 1 dist 9.49454 8.57395 5.88327 5.75428 10.4348 6.95874 numMergedOcc 0
98 mol 95 unq 2 iso 0 dist 9.49454 5.75428 10.4348 9.85409 3.96826 12.3063 numMergedOcc 0
99 mol 95 unq 2 iso 1 dist 9.49454 9.85409 3.96826 5.75428 10.4348 12.3063 numMergedOcc 0
100 mol 95 unq 2 iso 0 dist 9.49454 8.57395 5.88327 9.85409 3.96826 9.43547 numMergedOcc 0
101 mol 95 unq 2 iso 1 dist 9.49454 9.85409 3.96826 8.57395 5.88327 9.43547 numMergedOcc 0
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103 mol 98 unq 0 iso 1 dist 4.47349 5.2571 3.94967 7.54889 3.92737 6.70343 numMergedOcc 0
104 mol 98 unq 1 iso 0 dist 5.65185 7.78931 3.92737 8.7497 3.94967 6.70343 numMergedOcc 0
105 mol 98 unq 1 iso 1 dist 5.65185 8.7497 3.94967 7.78931 3.92737 6.70343 numMergedOcc 0
106 mol 100 unq 0 iso 0 dist 7.80975 9.90751 15.0328 9.21662 12.48 6.25463 numMergedOcc 0
107 mol 100 unq 0 iso 1 dist 7.80975 9.21662 12.48 9.90751 15.0328 6.25463 numMergedOcc 0
108 mol 100 unq 1 iso 0 dist 7.38135 7.82475 7.55779 5.35782 8.00947 3.5565 numMergedOcc 0
109 mol 100 unq 1 iso 1 dist 7.38135 5.35782 8.00947 7.82475 7.55779 3.5565 numMergedOcc 0
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111 mol 134 unq 0 iso 1 dist 9.94764 8.69531 6.93712 9.1998 11.5269 5.83782 numMergedOcc 0
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113 mol 143 unq 0 iso 1 dist 7.78652 5.40637 10.0079 7.36975 12.207 10.1474 numMergedOcc 0
114 mol 143 unq 1 iso 0 dist 8.91301 7.36975 14.7271 5.40637 9.05366 10.1474 numMergedOcc 0
115 mol 143 unq 1 iso 1 dist 8.91301 5.40637 9.05366 7.36975 14.7271 10.1474 numMergedOcc 0
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117 mol 167 unq 0 iso 1 dist 9.67741 9.2289 8.91275 7.20495 5.43662 9.25262 numMergedOcc 0
118 mol 167 unq 1 iso 0 dist 9.67741 7.20495 5.43662 7.02548 5.95858 6.81449 numMergedOcc 0
119 mol 167 unq 1 iso 1 dist 9.67741 7.02548 5.95858 7.20495 5.43662 6.81449 numMergedOcc 0
120 mol 167 unq 1 iso 0 dist 9.67741 9.2289 8.91275 7.02548 5.95858 3.55199 numMergedOcc 0
121 mol 167 unq 1 iso 1 dist 9.67741 7.02548 5.95858 9.2289 8.91275 3.55199 numMergedOcc 0
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123 mol 181 unq 0 iso 1 dist 5.94469 9.01624 11.9796 6.64173 4.98436 11.196 numMergedOcc 0
124 mol 181 unq 1 iso 0 dist 5.94469 6.64173 4.98436 9.55105 12.3589 10.1041 numMergedOcc 0
125 mol 181 unq 1 iso 1 dist 5.94469 9.55105 12.3589 6.64173 4.98436 10.1041 numMergedOcc 0
126 mol 181 unq 1 iso 0 dist 5.94469 9.01624 11.9796 9.55105 12.3589 3.55187 numMergedOcc 0
127 mol 181 unq 1 iso 1 dist 5.94469 9.55105 12.3589 9.01624 11.9796 3.55187 numMergedOcc 0
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129 mol 184 unq 0 iso 1 dist 6.42735 5.96423 4.67256 8.97589 3.7949 5.33725 numMergedOcc 0
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131 mol 222 unq 0 iso 1 dist 9.07471 8.36842 6.37382 6.74196 4.67663 8.10209 numMergedOcc 0
132 mol 222 unq 1 iso 0 dist 9.07471 6.74196 4.67663 9.75472 6.31322 9.49218 numMergedOcc 0
133 mol 222 unq 1 iso 1 dist 9.07471 9.75472 6.31322 6.74196 4.67663 9.49218 numMergedOcc 0
134 mol 222 unq 1 iso 0 dist 9.07471 8.36842 6.37382 9.75472 6.31322 3.53707 numMergedOcc 0
135 mol 222 unq 1 iso 1 dist 9.07471 9.75472 6.31322 8.36842 6.37382 3.53707 numMergedOcc 0
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137 mol 223 unq 0 iso 1 dist 7.48463 9.33543 3.86668 6.42257 10.5752 12.841 numMergedOcc 0
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139 mol 235 unq 0 iso 1 dist 8.69356 6.29377 5.2878 8.19317 10.0135 4.8835 numMergedOcc 0
140 mol 238 unq 0 iso 0 dist 7.10685 9.07475 5.37176 6.99888 6.65214 3.46869 numMergedOcc 0
141 mol 238 unq 0 iso 1 dist 7.10685 6.99888 6.65214 9.07475 5.37176 3.46869 numMergedOcc 0
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143 mol 243 unq 0 iso 1 dist 8.76935 8.67156 4.21383 7.10671 3.85188 6.67199 numMergedOcc 0
144 mol 243 unq 1 iso 0 dist 8.47652 7.10671 6.25256 8.67156 6.94795 6.67199 numMergedOcc 0
145 mol 243 unq 1 iso 1 dist 8.47652 8.67156 6.94795 7.10671 6.25256 6.67199 numMergedOcc 0
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147 mol 259 unq 0 iso 1 dist 7.08526 6.95511 4.10176 5.85442 4.47425 3.51848 numMergedOcc 0
148 mol 292 unq 0 iso 0 dist 7.83341 9.9182 13.4805 8.9221 8.14131 9.43063 numMergedOcc 0
149 mol 292 unq 0 iso 1 dist 7.83341 8.9221 8.14131 9.9182 13.4805 9.43063 numMergedOcc 0
150 mol 292 unq 1 iso 0 dist 8.87028 9.46442 6.00981 7.30758 4.09485 3.57128 numMergedOcc 0
151 mol 292 unq 1 iso 1 dist 8.87028 7.30758 4.09485 9.46442 6.00981 3.57128 numMergedOcc 0
152 mol 292 unq 2 iso 0 dist 8.87028 9.46442 6.00981 9.5785 7.31215 11.3907 numMergedOcc 0
153 mol 292 unq 2 iso 1 dist 8.87028 9.5785 7.31215 9.46442 6.00981 11.3907 numMergedOcc 0
154 mol 292 unq 3 iso 0 dist 8.87028 9.46442 6.00981 9.76319 12.3226 13.609 numMergedOcc 0
155 mol 292 unq 3 iso 1 dist 8.87028 9.76319 12.3226 9.46442 6.00981 13.609 numMergedOcc 0
156 mol 292 unq 2 iso 0 dist 8.87028 7.30758 4.09485 9.5785 7.31215 10.0941 numMergedOcc 0
157 mol 292 unq 2 iso 1 dist 8.87028 9.5785 7.31215 7.30758 4.09485 10.0941 numMergedOcc 0
158 mol 292 unq 3 iso 0 dist 8.87028 7.30758 4.09485 9.76319 12.3226 13.2166 numMergedOcc 0
159 mol 292 unq 3 iso 1 dist 8.87028 9.76319 12.3226 7.30758 4.09485 13.2166 numMergedOcc 0
160 mol 292 unq 3 iso 0 dist 8.87028 9.5785 7.31215 9.76319 12.3226 7.00706 numMergedOcc 0
161 mol 292 unq 3 iso 1 dist 8.87028 9.76319 12.3226 9.5785 7.31215 7.00706 numMergedOcc 0
162 mol 292 unq 4 iso 0 dist 7.07965 7.20674 13.8094 8.38121 13.8468 9.14614 numMergedOcc 0
163 mol 292 unq 4 iso 1 dist 7.07965 8.38121 13.8468 7.20674 13.8094 9.14614 numMergedOcc 0
