0 mol 11 unq 0 iso 0 dist 5.95165 3.77561 4.61088 10.5071 8.68293 7.28643 12.4319 7.86896 9.23212 9.08736 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.95165 3.77561 4.61088 9.80646 6.84216 9.68636 12.4319 7.86896 9.23212 9.74528 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 4.15592 9.02471 12.6657 10.0846 4.80528 12.8866 8.81562 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 4.15592 9.02471 14.0654 10.0846 4.80528 10.6604 8.81562 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 7.52951 9.30832 5.46207 15.7068 10.9135 12.0942 9.57769 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 6.78949 7.54208 8.37808 6.80573 4.42563 7.90729 11.1785 6.28781 11.9171 4.821 numMergedOcc 0
6 mol 122 unq 1 iso 0 dist 9.40018 11.0216 8.37808 12.9961 4.42563 7.90729 15.6575 6.28781 11.9171 4.821 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 9.28278 14.5776 8.54584 3.54691 7.97548 12.5321 7.13958 4.80675 10.1938 4.4077 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 9.28278 14.5776 8.54584 5.56761 9.64164 11.3755 7.13958 4.80675 10.1938 8.4874 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 12.8334 9.00072 12.2243 21.0551 14.7437 18.2844 9.07315 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 12.8334 9.00072 4.73288 21.0551 14.7437 11.3133 9.07315 numMergedOcc 0
11 mol 152 unq 2 iso 0 dist 8.07256 8.36099 7.16148 12.8334 9.00072 4.70284 21.0551 14.7437 13.5498 9.07315 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 5.09728 5.36671 12.8624 11.6329 8.88239 15.9047 8.06817 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 4.84709 4.55245 8.82096 6.62122 9.06459 4.15355 11.277 14.5108 9.4835 9.46274 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 8.91612 5.11865 6.73034 9.82989 8.94786 8.57513 12.3062 6.27022 7.71295 9.80396 numMergedOcc 0
15 mol 253 unq 1 iso 0 dist 8.91612 5.11865 6.73034 10.2284 9.1927 6.0222 12.3062 6.27022 7.71295 6.3093 numMergedOcc 0
16 mol 253 unq 2 iso 0 dist 8.91612 5.11865 6.73034 13.0515 9.27311 10.2118 15.9246 8.65261 11.9069 6.93942 numMergedOcc 0
17 mol 253 unq 3 iso 0 dist 8.91612 5.11865 6.73034 13.0515 9.27311 10.2118 20.803 14.0529 16.7284 9.31626 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 7.31817 4.9764 11.8607 6.70414 5.77904 8.35794 4.1545 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 3.91224 6.36559 10.9137 6.70414 5.77904 8.35794 4.25172 numMergedOcc 0
