0 mol 4 unq 0 iso 0 dist 6.59244 9.72375 7.617 13.7441 9.4539 4.85174 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.59244 9.72375 7.617 5.33112 6.47964 10.1468 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 6.59244 9.72375 7.617 5.5304 9.50144 14.2053 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 9.24292 7.99696 7.55743 7.2786 8.03458 4.58419 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 9.24292 7.99696 7.55743 8.58855 8.2106 6.89262 numMergedOcc 0
5 mol 13 unq 0 iso 0 dist 8.2164 5.21049 6.24522 5.15437 8.12105 6.44797 numMergedOcc 0
6 mol 21 unq 0 iso 0 dist 5.27589 11.3343 9.19322 10.0167 8.07914 10.5082 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 8.11297 8.09674 9.26813 10.0366 8.68012 4.17715 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.34433 5.00932 5.5483 5.9674 7.32913 4.09692 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 9.34433 15.9323 9.30432 5.9674 7.32913 10.8436 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 5.63207 7.4373 5.5483 6.15285 7.32913 4.09692 numMergedOcc 0
11 mol 43 unq 3 iso 0 dist 5.63207 5.81652 9.30432 6.15285 7.32913 10.8436 numMergedOcc 0
12 mol 62 unq 0 iso 0 dist 6.09042 5.46519 8.73923 11.2147 9.11512 11.1541 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 8.8599 11.9795 8.86048 11.4822 6.3141 3.73708 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 8.8599 8.32871 7.14019 11.4822 6.3141 4.21513 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 9.26306 4.31415 7.6981 4.65575 7.57394 4.85263 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 5.8915 11.0367 8.10965 5.29804 8.078 12.706 numMergedOcc 0
17 mol 103 unq 1 iso 0 dist 5.8915 11.0367 8.10965 8.4824 6.56481 3.9634 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 7.47105 7.5579 8.72732 11.193 9.2759 8.09812 numMergedOcc 0
19 mol 189 unq 0 iso 0 dist 8.01521 5.79701 9.40683 9.29575 6.38294 6.55569 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.3941 4.84434 8.5734 8.14211 5.61326 6.01671 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 6.58174 5.27148 7.30459 10.9794 6.20044 8.3119 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 6.58174 5.27148 7.30459 9.00243 8.41232 4.008 numMergedOcc 0
23 mol 204 unq 2 iso 0 dist 6.58174 7.02985 8.73423 10.9794 6.20044 13.884 numMergedOcc 0
24 mol 204 unq 3 iso 0 dist 6.58174 7.02985 8.73423 9.00243 8.41232 12.8942 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 7.24175 5.476 7.74406 11.0439 5.86911 8.42395 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 7.24175 5.476 7.74406 8.85251 7.89258 3.97644 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 9.4344 12.2255 8.85493 7.49568 8.19645 5.07471 numMergedOcc 0
28 mol 252 unq 1 iso 0 dist 5.41885 9.94296 8.85493 6.93011 8.19645 5.07471 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 7.72433 9.83164 7.07099 5.86368 6.57444 4.19938 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 7.72433 9.83164 7.07099 4.95934 7.9555 8.95939 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 6.81536 12.6807 8.88843 9.38089 7.65321 4.02168 numMergedOcc 0
32 mol 281 unq 1 iso 0 dist 9.89425 8.00372 8.88843 5.70549 7.65321 4.02168 numMergedOcc 0
