0 mol 4 unq 0 iso 0 dist 8.15534 7.58769 6.21697 5.10085 6.66589 9.80478 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.58769 8.15534 6.21697 5.10085 9.80478 6.66589 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.34433 7.19567 12.662 9.30759 9.58938 15.7392 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.71324 9.5663 7.89535 7.70414 9.10915 5.54343 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.71324 9.5663 7.89535 5.89729 7.02352 11.6449 numMergedOcc 0
5 mol 64 unq 2 iso 0 dist 9.5663 8.71324 7.89535 7.70414 5.54343 9.10915 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 8.21588 6.62798 5.38943 7.2527 9.1329 5.26938 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 8.21588 6.62798 5.38943 7.55603 9.33217 11.099 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 8.21588 6.62798 5.38943 12.2598 9.03114 8.91602 numMergedOcc 0
9 mol 87 unq 3 iso 0 dist 6.62798 8.21588 5.38943 7.2527 5.26938 9.1329 numMergedOcc 0
10 mol 87 unq 4 iso 0 dist 6.62798 8.21588 5.38943 12.2598 8.91602 9.03114 numMergedOcc 0
11 mol 87 unq 5 iso 0 dist 8.15104 9.94718 5.38943 8.89893 9.1329 5.26938 numMergedOcc 0
12 mol 87 unq 6 iso 0 dist 8.15104 9.94718 5.38943 6.14857 9.33217 11.099 numMergedOcc 0
13 mol 87 unq 7 iso 0 dist 8.15104 9.94718 5.38943 5.64484 9.03114 8.91602 numMergedOcc 0
14 mol 87 unq 8 iso 0 dist 9.94718 8.15104 5.38943 8.89893 5.26938 9.1329 numMergedOcc 0
15 mol 87 unq 9 iso 0 dist 9.94718 8.15104 5.38943 5.64484 8.91602 9.03114 numMergedOcc 0
16 mol 102 unq 0 iso 0 dist 6.7095 7.90927 12.2274 5.26061 7.48277 13.1257 numMergedOcc 0
17 mol 102 unq 1 iso 0 dist 6.7095 7.90927 12.2274 8.90571 9.0361 13.5476 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 9.18707 5.91786 5.54133 4.82909 6.09472 6.20658 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 5.91786 9.18707 5.54133 4.82909 6.20658 6.09472 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 5.91786 9.18707 5.54133 6.68557 7.83568 12.9952 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.40313 9.35708 5.95728 6.89327 8.32829 12.6438 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 7.10623 9.84254 8.93269 5.93705 9.92027 10.9142 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 8.80671 9.81411 9.43276 7.47558 9.96011 15.9809 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 6.93654 9.66298 4.70691 6.39263 8.50313 7.6414 numMergedOcc 0
25 mol 261 unq 1 iso 0 dist 9.66298 6.93654 4.70691 6.39263 7.6414 8.50313 numMergedOcc 0
