0 mol 38 unq 0 iso 0 dist 4.74069 7.46414 7.26639 5.86972 4.57886 9.23576 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.12959 13.0619 8.13108 12.7055 4.74638 6.83992 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 9.31543 4.80675 6.69691 7.07421 5.04019 6.29026 numMergedOcc 0
3 mol 129 unq 1 iso 0 dist 8.85652 4.80675 5.51197 7.07421 4.79473 6.29026 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.7105 9.71227 7.22643 19.033 12.9426 9.4473 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 5.59682 9.0696 8.89982 numMergedOcc 0
6 mol 152 unq 1 iso 0 dist 9.40483 7.17016 6.59889 7.71277 9.0696 8.89982 numMergedOcc 0
7 mol 152 unq 2 iso 0 dist 9.44172 6.62991 8.9192 5.59682 9.83062 8.89982 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 8.39573 4.681 5.05973 6.47689 5.71744 6.43406 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 8.8774 4.85077 9.56028 8.94671 4.82437 7.86625 numMergedOcc 0
10 mol 224 unq 0 iso 0 dist 8.57781 15.4433 8.08349 7.47122 3.56689 9.75313 numMergedOcc 0
11 mol 224 unq 1 iso 0 dist 8.57781 15.4433 8.08349 18.5793 11.4272 6.08709 numMergedOcc 0
12 mol 224 unq 2 iso 0 dist 5.36326 4.55824 8.08349 6.6537 3.56689 9.75313 numMergedOcc 0
13 mol 224 unq 3 iso 0 dist 5.36326 4.55824 8.08349 9.08719 11.4272 6.08709 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 9.67162 5.52669 8.23087 9.13126 4.8226 9.10613 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.67281 7.01206 9.12776 5.57184 12.4194 5.24313 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.67281 11.2453 9.72188 17.8634 13.338 9.31417 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 9.67281 11.2453 9.72188 16.0826 12.046 5.56719 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 8.27649 5.54149 6.34915 12.7395 6.70515 8.69184 numMergedOcc 0
19 mol 257 unq 1 iso 0 dist 8.27649 10.8918 7.81897 12.7395 6.70515 8.18901 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.40328 6.18571 5.85442 4.55368 7.06301 7.93997 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 8.2518 6.18571 6.95511 4.55368 7.80863 7.93997 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 9.91103 16.3552 9.57499 24.9077 19.5312 9.98528 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 9.91103 10.4297 5.46926 12.4458 13.3706 9.02914 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 9.91103 5.77904 8.9682 12.4458 13.3706 6.90434 numMergedOcc 0
25 mol 277 unq 3 iso 0 dist 7.0603 10.4297 5.13913 12.4458 12.1739 9.02914 numMergedOcc 0
26 mol 277 unq 4 iso 0 dist 7.0603 5.77904 6.92711 12.4458 12.1739 6.90434 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 7.4869 7.38048 6.86234 13.7994 7.42656 8.85762 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 6.24134 9.237 7.80862 17.2349 13.9922 8.71213 numMergedOcc 0
