0 mol 32 unq 0 iso 0 dist 6.89423 10.0517 8.91596 10.7961 6.37026 7.26268 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 9.1568 6.31521 8.83233 12.4232 8.71152 7.26639 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 9.61504 17.4206 9.62234 19.1443 9.57422 9.24724 numMergedOcc 0
3 mol 116 unq 0 iso 0 dist 8.0237 8.892 8.51123 10.8476 6.51576 8.28795 numMergedOcc 0
4 mol 122 unq 0 iso 0 dist 8.08737 7.21898 4.42563 10.5267 3.17342 6.00603 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 7.667 7.26802 8.92592 5.21801 3.5168 6.02086 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 7.19751 9.72213 9.19156 18.3573 14.8784 9.63417 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 7.39733 7.07865 8.29467 9.86015 5.09584 6.64173 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 7.39733 7.07865 8.29467 12.3619 11.4645 9.01624 numMergedOcc 0
9 mol 181 unq 2 iso 0 dist 7.39733 7.07865 8.29467 14.0951 11.5807 9.55105 numMergedOcc 0
10 mol 181 unq 3 iso 0 dist 8.74268 13.9526 8.29467 13.6966 5.09584 6.64173 numMergedOcc 0
11 mol 181 unq 4 iso 0 dist 8.74268 13.9526 8.29467 14.8505 11.4645 9.01624 numMergedOcc 0
12 mol 181 unq 5 iso 0 dist 8.74268 13.9526 8.29467 16.671 11.5807 9.55105 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 7.72354 7.25468 9.84566 10.424 6.68311 8.97589 numMergedOcc 0
14 mol 184 unq 1 iso 0 dist 7.72354 7.25468 9.84566 9.07247 9.71065 5.96423 numMergedOcc 0
15 mol 213 unq 0 iso 0 dist 8.64187 12.6417 8.82761 17.2591 14.4808 8.21793 numMergedOcc 0
16 mol 213 unq 1 iso 0 dist 8.64187 10.3241 4.66576 13.5203 5.45331 8.22569 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 9.20256 14.0672 8.45764 14.726 5.79539 7.39775 numMergedOcc 0
18 mol 251 unq 1 iso 0 dist 9.20256 14.0672 8.45764 12.1628 3.45567 6.50357 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 8.81508 6.64096 9.6834 12.651 9.14227 8.83833 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.7645 3.66473 7.45616 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.7645 3.66473 7.45616 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 7.29668 8.598 5.30118 10.7645 3.66473 7.45616 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 8.27039 5.81799 4.49592 12.4656 9.42231 7.20674 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 8.27039 5.81799 4.49592 10.7736 11.9106 8.38121 numMergedOcc 0
