0 mol 59 unq 0 iso 0 dist 9.28075 9.92545 6.55138 9.30433 10.9901 5.70814 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 9.28075 9.92545 6.55138 6.4125 9.41952 5.58384 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 8.21588 6.90483 5.6513 6.02518 6.97882 5.87906 numMergedOcc 0
3 mol 87 unq 1 iso 0 dist 6.62798 6.90483 7.41574 6.02518 9.4868 5.87906 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.40582 6.17537 5.88809 3.97579 5.37819 5.57712 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.87843 8.11757 11.4368 6.69503 13.1859 6.78043 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 7.87843 8.11757 11.4368 7.80674 11.7857 5.74364 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 7.87843 9.4667 6.09352 7.80674 11.7857 8.60026 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 7.90927 8.63253 6.43211 5.57291 9.22651 8.07962 numMergedOcc 0
9 mol 102 unq 1 iso 0 dist 7.90927 8.63253 6.43211 6.91222 5.32892 7.58908 numMergedOcc 0
10 mol 102 unq 2 iso 0 dist 7.90927 5.15752 6.93587 5.57291 9.22651 9.54857 numMergedOcc 0
11 mol 102 unq 3 iso 0 dist 7.90927 5.15752 6.93587 6.91222 5.32892 9.32058 numMergedOcc 0
12 mol 102 unq 4 iso 0 dist 6.7095 8.63253 11.7098 5.57291 11.4359 8.07962 numMergedOcc 0
13 mol 102 unq 5 iso 0 dist 6.7095 8.63253 11.7098 6.91222 13.237 7.58908 numMergedOcc 0
14 mol 102 unq 6 iso 0 dist 6.7095 5.15752 5.51997 5.57291 11.4359 9.54857 numMergedOcc 0
15 mol 102 unq 7 iso 0 dist 6.7095 5.15752 5.51997 6.91222 13.237 9.32058 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 7.10839 8.32453 7.13388 10.559 12.1128 5.46716 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 7.58683 5.25485 4.81215 5.03245 9.46039 5.46716 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 5.78662 9.3072 6.51997 11.075 10.9866 5.55129 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 5.47823 8.78461 6.53628 10.4943 10.9425 5.53778 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.35708 9.76509 9.79728 10.7753 5.31333 9.89709 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 8.40313 9.76509 9.21526 10.7753 10.5988 9.89709 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 5.98787 9.30247 6.28311 13.1032 13.6528 8.79299 numMergedOcc 0
23 mol 217 unq 1 iso 0 dist 7.70005 7.19347 5.21449 9.47932 8.80103 5.89788 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 8.76741 7.60093 11.1791 5.18467 13.0999 6.14732 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 7.29081 8.24507 4.62586 13.9951 6.73794 8.78928 numMergedOcc 0
26 mol 278 unq 0 iso 0 dist 7.74708 5.7099 8.32388 4.46246 11.851 6.97456 numMergedOcc 0
27 mol 278 unq 1 iso 0 dist 6.03414 5.7099 4.98313 4.46246 9.62455 6.97456 numMergedOcc 0
28 mol 278 unq 2 iso 0 dist 9.82026 5.7099 9.60403 4.46246 10.9288 6.97456 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 9.73559 9.94289 6.01509 7.84027 12.9212 8.92332 numMergedOcc 0
