0 mol 44 unq 0 iso 0 dist 8.72535 8.59022 8.90976 12.7874 7.85573 15.5094 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.99557 9.31319 15.919 9.89704 8.55031 17.5682 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 8.99557 8.2513 17.0196 9.89704 8.55031 15.6381 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 7.50417 7.80757 4.4651 10.7267 6.77808 11.0964 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 7.50417 5.5849 9.31889 10.7267 6.77808 14.7464 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 8.29369 9.2835 7.17843 13.023 6.02034 11.0964 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 6.75455 5.02591 7.17843 10.7809 6.02034 11.0964 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 6.28063 5.02591 4.4651 10.7809 6.77808 11.0964 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 8.48295 7.47827 10.2967 14.4549 9.83906 19.1264 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.79055 5.89394 7.17015 5.73112 6.78043 4.98104 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.28919 5.89394 4.52119 5.73112 5.74364 4.98104 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 9.28919 5.89394 4.52119 15.1516 8.60026 10.7379 numMergedOcc 0
12 mol 136 unq 0 iso 0 dist 6.27434 6.53519 6.38418 7.07073 9.87222 11.1969 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 8.6499 9.7168 12.8573 9.82008 6.60739 17.3468 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 8.6499 9.7168 12.8573 7.50382 9.22427 16.4612 numMergedOcc 0
15 mol 148 unq 2 iso 0 dist 8.6499 9.7168 12.8573 12.5069 5.55129 16.7687 numMergedOcc 0
16 mol 148 unq 3 iso 0 dist 8.6499 7.38138 8.61198 9.82008 6.60739 13.5063 numMergedOcc 0
17 mol 148 unq 4 iso 0 dist 8.6499 7.38138 8.61198 7.50382 9.22427 10.69 numMergedOcc 0
18 mol 148 unq 5 iso 0 dist 8.6499 7.38138 8.61198 12.5069 5.55129 14.0403 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 8.75339 9.61132 12.8265 9.83293 6.71763 17.2596 numMergedOcc 0
20 mol 150 unq 1 iso 0 dist 8.75339 9.61132 12.8265 7.48524 9.32504 16.3796 numMergedOcc 0
21 mol 150 unq 2 iso 0 dist 8.75339 9.61132 12.8265 12.4366 5.53778 16.6473 numMergedOcc 0
22 mol 150 unq 3 iso 0 dist 8.75339 7.34423 8.68422 9.83293 6.71763 13.5458 numMergedOcc 0
23 mol 150 unq 4 iso 0 dist 8.75339 7.34423 8.68422 7.48524 9.32504 10.6513 numMergedOcc 0
24 mol 150 unq 5 iso 0 dist 8.75339 7.34423 8.68422 12.4366 5.53778 14.0778 numMergedOcc 0
25 mol 153 unq 0 iso 0 dist 8.30572 9.56587 12.1679 6.07942 5.44883 14.0424 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 8.67838 6.07676 4.11061 6.18164 4.96259 6.00053 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 8.40514 8.03567 5.97308 6.99364 9.89709 12.4627 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 8.83021 8.08787 8.94975 9.13263 9.86348 11.5026 numMergedOcc 0
29 mol 217 unq 0 iso 0 dist 6.00351 8.28941 6.20364 5.51329 5.89788 9.91098 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 7.49227 9.93154 8.65229 9.22288 6.14732 10.2913 numMergedOcc 0
31 mol 227 unq 1 iso 0 dist 7.49227 9.18218 13.0161 9.22288 6.14732 13.1699 numMergedOcc 0
32 mol 227 unq 2 iso 0 dist 7.49227 6.18486 11.8065 9.22288 6.14732 11.3667 numMergedOcc 0
33 mol 252 unq 0 iso 0 dist 6.68688 6.7283 11.6171 6.68415 8.63848 12.4114 numMergedOcc 0
34 mol 265 unq 0 iso 0 dist 8.50624 5.81421 7.602 6.38433 8.03655 8.1498 numMergedOcc 0
35 mol 283 unq 0 iso 0 dist 5.33054 7.92491 4.44211 5.9309 7.90132 9.53225 numMergedOcc 0
