0 mol 0 unq 0 iso 0 dist 9.19007 6.0225 6.94943 10.5603 4.62412 5.88757 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.19007 6.0225 6.94943 10.4406 5.96303 8.66548 numMergedOcc 0
2 mol 1 unq 0 iso 0 dist 8.26708 6.27888 7.27254 11.9816 8.78328 5.96833 numMergedOcc 0
3 mol 1 unq 1 iso 0 dist 6.09918 4.50502 7.27254 8.56884 8.78328 5.96833 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.78006 5.84314 7.05919 6.85412 7.98363 9.71516 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 9.78006 5.84314 7.05919 6.33889 10.4204 9.81658 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 8.72023 5.48225 8.25405 6.4934 6.31611 5.9809 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 5.69955 8.25132 6.73167 9.16962 4.80984 5.84066 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 8.6385 7.73394 6.73167 10.9838 4.80984 5.84066 numMergedOcc 0
9 mol 26 unq 2 iso 0 dist 8.44506 7.11305 6.38243 13.2086 14.3325 9.06516 numMergedOcc 0
10 mol 26 unq 3 iso 0 dist 8.44506 7.11305 6.38243 6.73162 8.13684 9.96121 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 7.27383 4.00553 6.87028 10.5905 5.36808 8.13051 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 8.64015 6.08003 7.17026 10.3148 7.70178 8.35444 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 6.61823 4.3481 6.9223 11.9364 7.24263 9.39807 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 6.49956 4.3481 7.0561 11.9364 12.5937 9.39807 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 7.26086 3.9764 8.75597 10.417 13.6622 6.61111 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 6.43433 6.75738 7.44041 11.6045 9.06991 8.91262 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 9.92283 5.43385 7.44041 13.0457 9.06991 8.91262 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.77116 6.9194 9.6121 9.63176 8.96522 6.55202 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 7.77116 9.68677 9.57341 14.0269 11.1324 6.13374 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 7.77116 9.68677 9.57341 9.63176 8.96522 9.08536 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 9.46588 10.7549 8.66815 7.75534 5.83002 9.93613 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.56003 6.11469 9.05336 11.1745 6.30647 8.50705 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 20.301 13.6926 6.57379 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 7.36779 10.092 6.99345 11.425 8.05714 6.44575 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 7.36779 4.46337 5.11043 11.425 8.05714 7.43401 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 8.20836 16.4114 8.48313 21.5049 13.6926 6.57379 numMergedOcc 0
27 mol 134 unq 4 iso 0 dist 8.20836 12.8086 6.99345 11.2292 8.05714 6.44575 numMergedOcc 0
28 mol 134 unq 5 iso 0 dist 8.20836 7.41373 5.11043 11.2292 8.05714 7.43401 numMergedOcc 0
29 mol 140 unq 0 iso 0 dist 5.39064 4.91618 7.19291 8.19104 5.39245 6.88846 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 9.83476 15.0914 6.07389 15.2392 6.20673 7.25339 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 6.26839 11.8031 6.72182 12.1599 7.69247 7.10155 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 8.12346 9.09233 6.72182 13.8412 7.69247 7.10155 numMergedOcc 0
33 mol 194 unq 2 iso 0 dist 8.83356 4.66791 6.72182 5.48258 7.69247 7.10155 numMergedOcc 0
34 mol 194 unq 3 iso 0 dist 8.2654 7.73551 6.72182 10.3975 7.69247 7.10155 numMergedOcc 0
35 mol 195 unq 0 iso 0 dist 6.60567 5.41635 6.34234 9.36654 9.08602 5.87439 numMergedOcc 0
36 mol 195 unq 1 iso 0 dist 6.60567 5.41635 6.34234 11.955 8.18628 8.18059 numMergedOcc 0
37 mol 195 unq 2 iso 0 dist 6.60567 11.9954 7.87972 9.45278 5.15519 9.74988 numMergedOcc 0
38 mol 195 unq 3 iso 0 dist 7.62942 6.04871 6.34234 8.36117 9.08602 5.87439 numMergedOcc 0
39 mol 195 unq 4 iso 0 dist 7.62942 6.04871 6.34234 6.77578 8.18628 8.18059 numMergedOcc 0
40 mol 195 unq 5 iso 0 dist 7.62942 8.04534 7.87972 12.4119 5.15519 9.74988 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 8.37597 5.13732 8.54702 8.19953 8.5129 5.73591 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 8.37597 5.13732 8.54702 11.5717 7.96876 8.55345 numMergedOcc 0
43 mol 225 unq 0 iso 0 dist 8.87609 17.3148 9.87668 12.2336 8.99405 8.91356 numMergedOcc 0
44 mol 225 unq 1 iso 0 dist 8.87609 17.3148 9.87668 26.2681 18.6744 9.59574 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 8.38865 4.1511 5.28771 8.17891 5.92529 7.79951 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 5.4694 4.69247 5.28771 6.95902 5.92529 7.79951 numMergedOcc 0
47 mol 230 unq 0 iso 0 dist 6.41286 9.70574 7.07833 11.8967 6.43742 8.10546 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 5.52379 4.48415 6.53286 9.10743 5.88491 9.84652 numMergedOcc 0
