0 mol 43 unq 0 iso 0 dist 9.34433 6.84521 12.3867 5.9674 7.32913 12.0317 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.34433 8.90024 12.0037 5.9674 7.32913 12.0919 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 9.34433 6.78532 6.9067 5.9674 7.32913 9.47348 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 5.63207 6.35333 5.90331 6.15285 7.32913 11.5522 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.09042 8.27156 10.894 11.2147 9.11512 18.5792 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 10.7791 8.86433 16.8033 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 9.5663 9.56181 5.59762 12.0987 5.66803 9.21546 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 9.93275 9.29446 9.54341 5.64101 9.86325 5.68286 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 9.93275 5.8992 9.58336 5.64101 9.86325 10.4792 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 9.48319 9.86416 15.2271 6.77806 7.72515 16.1078 numMergedOcc 0
10 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 4.48902 9.25496 10.0945 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 11.8843 8.03869 17.5393 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.18707 8.64107 5.74878 10.4327 8.80824 9.70616 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 9.18707 8.64107 5.74878 5.31483 9.67606 9.28214 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 9.18707 9.50575 11.7723 10.4327 8.80824 17.8957 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 9.18707 9.50575 11.7723 5.31483 9.67606 14.3348 numMergedOcc 0
16 mol 115 unq 4 iso 0 dist 5.91786 8.64107 7.09627 5.31483 9.41083 9.28214 numMergedOcc 0
17 mol 115 unq 5 iso 0 dist 5.91786 9.50575 7.10772 5.31483 9.41083 14.3348 numMergedOcc 0
18 mol 128 unq 0 iso 0 dist 8.20904 8.3127 11.1747 12.8509 8.64054 14.3509 numMergedOcc 0
19 mol 139 unq 0 iso 0 dist 7.83417 9.81432 7.05966 7.11333 8.78382 13.5462 numMergedOcc 0
20 mol 139 unq 1 iso 0 dist 7.83417 5.11962 4.78289 7.11333 8.78382 8.96275 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 6.4413 7.95671 5.34721 9.68187 9.18753 13.9381 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 6.62609 8.12659 5.38822 9.76535 9.15244 13.968 numMergedOcc 0
23 mol 187 unq 0 iso 0 dist 9.55621 9.38169 4.98423 9.61673 5.58167 6.82787 numMergedOcc 0
24 mol 187 unq 1 iso 0 dist 9.55621 9.38169 4.98423 12.9459 8.0501 12.7503 numMergedOcc 0
25 mol 189 unq 0 iso 0 dist 8.01521 8.59972 6.36139 9.29575 6.38294 11.5748 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 9.0815 9.90891 5.91558 7.03455 6.52136 8.45825 numMergedOcc 0
27 mol 209 unq 0 iso 0 dist 9.20752 5.92907 9.95971 9.95813 9.07668 11.1427 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 8.33143 8.14464 14.7684 8.88571 7.65121 14.9243 numMergedOcc 0
29 mol 225 unq 1 iso 0 dist 8.33143 9.93754 6.89798 8.88571 7.65121 13.147 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 5.81446 7.74348 5.90804 numMergedOcc 0
31 mol 236 unq 1 iso 0 dist 8.80671 7.49412 6.81625 14.8289 7.74348 10.7277 numMergedOcc 0
32 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 7.52886 7.26758 12.8359 numMergedOcc 0
33 mol 252 unq 0 iso 0 dist 5.41885 7.91348 5.96471 6.93011 8.19645 13.2165 numMergedOcc 0
34 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 4.95392 7.58385 13.5435 numMergedOcc 0
35 mol 261 unq 1 iso 0 dist 6.93654 9.80409 13.3163 6.94755 6.0437 12.1908 numMergedOcc 0
36 mol 261 unq 2 iso 0 dist 9.66298 9.80409 13.6041 6.94755 4.85199 12.1908 numMergedOcc 0
37 mol 261 unq 3 iso 0 dist 9.66298 9.80409 13.6041 17.3605 9.72159 20.1172 numMergedOcc 0
38 mol 271 unq 0 iso 0 dist 7.34621 7.9494 4.87282 7.6271 9.00071 12.7676 numMergedOcc 0
39 mol 273 unq 0 iso 0 dist 7.29081 9.79022 11.0966 12.2394 5.78262 16.2765 numMergedOcc 0
40 mol 273 unq 1 iso 0 dist 7.29081 9.79022 11.0966 7.5139 7.6489 15.7926 numMergedOcc 0
41 mol 281 unq 0 iso 0 dist 6.81536 9.37845 5.81338 9.38089 7.65321 12.2104 numMergedOcc 0
42 mol 285 unq 0 iso 0 dist 4.49395 6.44657 9.237 9.47966 7.872 15.1926 numMergedOcc 0
43 mol 285 unq 1 iso 0 dist 4.49395 6.44657 9.237 6.49869 6.32984 8.46833 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 4.98604 7.95849 5.10722 5.51191 6.45597 9.32175 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 4.98604 7.95849 5.10722 5.51191 6.45597 9.32175 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 4.98604 7.95849 5.10722 5.51191 6.45597 9.32175 numMergedOcc 0
