0 mol 18 unq 0 iso 0 dist 8.95294 9.9807 8.52106 14.2239 8.80193 10.6757 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.95294 7.30649 6.32451 14.2239 8.80193 7.62011 numMergedOcc 0
2 mol 18 unq 2 iso 0 dist 7.19022 10.4866 8.52106 9.66486 8.80193 10.6757 numMergedOcc 0
3 mol 18 unq 3 iso 0 dist 7.19022 5.31135 6.32451 9.66486 8.80193 7.62011 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 9.34916 10.8106 6.08338 11.5409 6.93185 10.6971 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 7.62709 8.60899 9.20119 7.29857 5.55096 10.7082 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 7.61402 9.22921 6.99408 5.45932 7.21995 8.26635 numMergedOcc 0
7 mol 45 unq 2 iso 0 dist 7.61402 9.22921 6.99408 8.19237 9.62637 13.4503 numMergedOcc 0
8 mol 45 unq 3 iso 0 dist 7.61402 6.64343 9.3403 5.45932 7.21995 5.05051 numMergedOcc 0
9 mol 45 unq 4 iso 0 dist 7.61402 6.64343 9.3403 8.19237 9.62637 10.6148 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 8.41365 5.65405 5.02241 5.01159 6.30987 4.29856 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 7.37607 10.6897 6.71911 9.31682 9.2902 9.64444 numMergedOcc 0
12 mol 70 unq 0 iso 0 dist 9.76145 6.02166 8.33704 4.45609 9.48582 6.50609 numMergedOcc 0
13 mol 70 unq 1 iso 0 dist 9.76145 10.1412 7.92394 4.45609 9.48582 8.34216 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 6.22513 5.49132 6.21982 4.80291 7.03226 4.85247 numMergedOcc 0
15 mol 76 unq 1 iso 0 dist 6.22513 6.71804 8.19682 4.80291 7.03226 6.45686 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 6.58062 11.1785 5.81965 5.47738 7.1539 8.55834 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 6.58062 11.1785 5.81965 4.665 5.39745 9.50382 numMergedOcc 0
18 mol 92 unq 2 iso 0 dist 6.58062 10.9352 7.06013 5.47738 7.1539 8.51055 numMergedOcc 0
19 mol 92 unq 3 iso 0 dist 6.58062 10.9352 7.06013 4.665 5.39745 11.3858 numMergedOcc 0
20 mol 92 unq 4 iso 0 dist 6.58062 10.8489 9.70512 5.47738 7.1539 7.76866 numMergedOcc 0
21 mol 92 unq 5 iso 0 dist 6.58062 10.8489 9.70512 4.665 5.39745 7.56363 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 6.87582 7.12329 6.99777 5.67542 5.60389 5.22052 numMergedOcc 0
23 mol 115 unq 1 iso 0 dist 8.77794 5.19652 6.99777 5.16645 5.60389 5.22052 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 9.22228 5.22807 6.88137 10.5549 7.30946 6.14767 numMergedOcc 0
25 mol 156 unq 1 iso 0 dist 9.40225 5.66289 6.27641 5.02458 5.81122 5.4555 numMergedOcc 0
26 mol 156 unq 2 iso 0 dist 7.49255 5.69897 6.27641 3.98813 5.81122 5.4555 numMergedOcc 0
27 mol 156 unq 3 iso 0 dist 4.94012 4.68187 6.27641 6.29145 5.81122 5.4555 numMergedOcc 0
28 mol 173 unq 0 iso 0 dist 9.13913 13.5954 7.93331 10.735 8.41245 6.14414 numMergedOcc 0
29 mol 173 unq 1 iso 0 dist 9.13913 13.5954 7.93331 14.6187 6.64779 4.72839 numMergedOcc 0
30 mol 173 unq 2 iso 0 dist 9.13913 9.29369 6.98095 10.735 8.41245 5.27321 numMergedOcc 0
31 mol 173 unq 3 iso 0 dist 9.13913 9.29369 6.98095 14.6187 6.64779 8.07089 numMergedOcc 0
32 mol 173 unq 4 iso 0 dist 9.13913 15.713 8.31897 10.735 8.41245 10.8609 numMergedOcc 0
33 mol 173 unq 5 iso 0 dist 9.13913 15.713 8.31897 14.6187 6.64779 5.70743 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 7.88787 10.2898 9.6668 7.23046 5.95304 9.34211 numMergedOcc 0
35 mol 181 unq 1 iso 0 dist 9.30874 5.114 6.94688 6.56225 9.06217 6.6251 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 5.54873 5.114 6.71012 6.56225 7.13252 6.6251 numMergedOcc 0
37 mol 181 unq 3 iso 0 dist 9.7281 7.07865 7.37327 12.6646 8.9289 5.63555 numMergedOcc 0
38 mol 188 unq 0 iso 0 dist 8.61217 5.86754 6.90541 9.80942 9.33696 10.5721 numMergedOcc 0
39 mol 188 unq 1 iso 0 dist 9.56587 8.38962 6.90541 17.4486 9.33696 10.5721 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 8.60851 5.87898 6.95408 5.3236 9.86703 5.43725 numMergedOcc 0
41 mol 194 unq 1 iso 0 dist 8.60851 13.1777 9.57538 5.3236 9.86703 10.0597 numMergedOcc 0
42 mol 194 unq 2 iso 0 dist 8.60851 15.4354 9.2285 5.3236 9.86703 13.5246 numMergedOcc 0
43 mol 194 unq 3 iso 0 dist 8.60851 15.5581 7.58278 5.3236 9.86703 14.8824 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 8.94854 8.14537 7.07392 13.3182 7.10413 6.2188 numMergedOcc 0
45 mol 232 unq 1 iso 0 dist 8.94854 12.1805 9.62952 13.3182 7.10413 6.09015 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 7.90344 12.9109 8.14172 5.11183 8.90076 12.2874 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 7.90344 12.9109 8.14172 6.32646 6.62002 7.11984 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 7.90344 12.3128 6.77463 5.11183 8.90076 10.4017 numMergedOcc 0
49 mol 238 unq 3 iso 0 dist 7.90344 12.3128 6.77463 6.32646 6.62002 7.95232 numMergedOcc 0
50 mol 238 unq 4 iso 0 dist 9.83326 5.18756 6.05141 15.2051 8.09718 10.7081 numMergedOcc 0
51 mol 238 unq 5 iso 0 dist 9.83326 5.18756 6.05141 10.3525 6.73446 5.50308 numMergedOcc 0
52 mol 238 unq 6 iso 0 dist 9.83326 9.55101 8.09066 15.2051 8.09718 12.2874 numMergedOcc 0
53 mol 238 unq 7 iso 0 dist 9.83326 9.55101 8.09066 10.3525 6.73446 7.11984 numMergedOcc 0
54 mol 238 unq 8 iso 0 dist 9.83326 13.5175 7.2766 15.2051 8.09718 10.4017 numMergedOcc 0
55 mol 238 unq 9 iso 0 dist 9.83326 13.5175 7.2766 10.3525 6.73446 7.95232 numMergedOcc 0
56 mol 238 unq 10 iso 0 dist 6.19514 6.13639 6.05141 13.5391 8.09718 10.7081 numMergedOcc 0
57 mol 238 unq 11 iso 0 dist 6.19514 6.13639 6.05141 9.75263 6.73446 5.50308 numMergedOcc 0
58 mol 238 unq 12 iso 0 dist 6.19514 5.59848 8.09066 13.5391 8.09718 12.2874 numMergedOcc 0
59 mol 238 unq 13 iso 0 dist 6.19514 5.59848 8.09066 9.75263 6.73446 7.11984 numMergedOcc 0
60 mol 238 unq 14 iso 0 dist 6.19514 7.17967 7.2766 13.5391 8.09718 10.4017 numMergedOcc 0
61 mol 238 unq 15 iso 0 dist 6.19514 7.17967 7.2766 9.75263 6.73446 7.95232 numMergedOcc 0
62 mol 253 unq 0 iso 0 dist 6.52138 7.07333 7.19465 5.01342 9.58354 5.78064 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 9.418 15.6082 7.50578 4.34105 8.92185 14.3125 numMergedOcc 0
64 mol 259 unq 1 iso 0 dist 8.10823 10.5525 7.50578 11.2938 8.92185 14.3125 numMergedOcc 0
65 mol 259 unq 2 iso 0 dist 8.84139 10.7477 8.12892 4.32336 7.7574 9.49258 numMergedOcc 0
66 mol 259 unq 3 iso 0 dist 9.26725 13.4341 8.12892 4.34105 7.7574 9.49258 numMergedOcc 0
67 mol 284 unq 0 iso 0 dist 8.6173 5.87119 4.86729 4.47263 6.61376 4.50325 numMergedOcc 0
