0 mol 32 unq 0 iso 0 dist 7.52145 9.74984 5.78231 14.6586 8.70331 8.7845 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 7.52145 7.27475 9.41538 14.6586 8.70331 11.8855 numMergedOcc 0
2 mol 32 unq 2 iso 0 dist 8.35776 11.3409 5.78231 5.87258 8.70331 8.7845 numMergedOcc 0
3 mol 32 unq 3 iso 0 dist 8.35776 8.8719 9.41538 5.87258 8.70331 11.8855 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.02073 9.10704 8.51839 12.6645 7.93498 5.30715 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 6.45955 5.1569 9.50763 4.86856 8.08224 7.03773 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.61831 4.63832 8.63792 8.53213 5.91098 8.29882 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 5.61831 4.63832 8.63792 5.28721 4.86523 9.77859 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.61514 5.40682 6.56288 5.55433 7.51319 4.75717 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.61514 5.40682 6.56288 15.3673 9.43839 15.811 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 8.21116 5.40682 5.97559 15.6112 8.66427 12.9091 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 8.21116 5.40682 5.97559 5.55433 8.49887 4.75717 numMergedOcc 0
12 mol 96 unq 0 iso 0 dist 7.40983 8.67044 7.22615 7.67811 8.79886 6.04753 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 8.88037 3.85333 8.0697 11.2395 8.06817 10.7328 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 5.23992 9.95833 9.81187 7.86601 8.79752 5.28982 numMergedOcc 0
15 mol 176 unq 1 iso 0 dist 5.23992 3.97723 4.67031 7.86601 8.79752 5.34777 numMergedOcc 0
16 mol 176 unq 2 iso 0 dist 5.23992 6.09521 9.49412 7.86601 8.79752 7.10023 numMergedOcc 0
17 mol 176 unq 3 iso 0 dist 9.1617 9.95833 8.77405 7.86601 7.58281 5.28982 numMergedOcc 0
18 mol 176 unq 4 iso 0 dist 9.1617 3.97723 6.8243 7.86601 7.58281 5.34777 numMergedOcc 0
19 mol 185 unq 0 iso 0 dist 9.62449 4.03855 8.60009 4.97475 9.61525 5.30867 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 9.3032 10.4172 4.55528 11.9253 7.56217 12.1121 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 9.3032 13.6082 6.88386 11.9253 7.56217 12.5858 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 8.10451 10.3249 4.55528 9.14049 7.56217 12.1121 numMergedOcc 0
23 mol 194 unq 3 iso 0 dist 8.10451 6.55814 6.88386 9.14049 7.56217 12.5858 numMergedOcc 0
24 mol 194 unq 4 iso 0 dist 6.6747 10.3249 4.42095 9.14049 9.81055 12.1121 numMergedOcc 0
25 mol 194 unq 5 iso 0 dist 6.6747 6.55814 4.63898 9.14049 9.81055 12.5858 numMergedOcc 0
26 mol 194 unq 6 iso 0 dist 6.6747 14.9692 9.53641 9.14049 9.81055 17.439 numMergedOcc 0
27 mol 194 unq 7 iso 0 dist 6.28412 6.65382 4.42095 15.4443 9.81055 12.1121 numMergedOcc 0
28 mol 194 unq 8 iso 0 dist 6.28412 8.25387 4.63898 15.4443 9.81055 12.5858 numMergedOcc 0
29 mol 194 unq 9 iso 0 dist 6.28412 4.09071 9.53641 15.4443 9.81055 17.439 numMergedOcc 0
30 mol 252 unq 0 iso 0 dist 4.15692 4.87406 5.2116 10.2256 9.09279 6.07355 numMergedOcc 0
31 mol 253 unq 0 iso 0 dist 8.34984 5.52102 8.58013 6.3252 6.3093 4.8687 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 9.05194 14.9602 9.05879 6.99999 8.14743 9.12522 numMergedOcc 0
33 mol 264 unq 1 iso 0 dist 9.05194 5.495 6.67548 6.99999 8.14743 5.14663 numMergedOcc 0
34 mol 264 unq 2 iso 0 dist 9.02526 5.495 5.57579 6.99999 8.75943 5.14663 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 9.20906 6.79927 7.43884 9.22203 4.95415 6.58663 numMergedOcc 0
36 mol 266 unq 1 iso 0 dist 9.20906 6.79927 7.43884 9.32644 6.38519 7.56583 numMergedOcc 0
37 mol 266 unq 2 iso 0 dist 9.03099 12.1152 7.43884 13.3047 4.95415 6.58663 numMergedOcc 0
38 mol 266 unq 3 iso 0 dist 9.03099 12.1152 7.43884 5.66268 6.38519 7.56583 numMergedOcc 0
39 mol 284 unq 0 iso 0 dist 5.06373 4.29335 5.2862 10.1082 8.2236 12.6047 numMergedOcc 0
40 mol 284 unq 1 iso 0 dist 5.06373 6.24981 5.31097 10.1082 8.2236 10.936 numMergedOcc 0
