0 mol 43 unq 0 iso 0 dist 9.34433 6.84521 12.3867 5.9674 7.32913 12.0317 9.30759 9.58938 13.9655 4.92159 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.34433 8.90024 12.0037 5.9674 7.32913 12.0919 9.30759 9.58938 12.2321 4.92159 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 9.34433 6.78532 6.9067 5.9674 7.32913 9.47348 9.30759 9.58938 11.6828 4.92159 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 5.63207 6.35333 5.90331 6.15285 7.32913 11.5522 7.38819 9.58938 12.4545 4.92159 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 10.7791 8.86433 16.8033 7.70414 9.10915 9.67592 14.8927 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.71324 9.56181 9.73304 10.7791 8.86433 16.8033 5.89729 7.02352 13.3406 6.15294 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 9.5663 9.56181 5.59762 12.0987 5.66803 9.21546 7.70414 5.54343 9.67592 5.9853 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 9.48319 9.86416 15.2271 6.77806 7.72515 16.1078 5.88392 7.77558 12.9183 4.94406 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.18707 8.64107 5.74878 10.4327 8.80824 9.70616 4.82909 6.09472 4.99221 6.80053 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 9.18707 8.64107 5.74878 5.31483 9.67606 9.28214 4.82909 6.09472 4.99221 4.45342 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 9.18707 9.50575 11.7723 10.4327 8.80824 17.8957 4.82909 6.09472 11.2489 6.80053 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 9.18707 9.50575 11.7723 5.31483 9.67606 14.3348 4.82909 6.09472 11.2489 4.45342 numMergedOcc 0
12 mol 115 unq 4 iso 0 dist 5.91786 8.64107 7.09627 5.31483 9.41083 9.28214 4.82909 6.20658 4.99221 4.45342 numMergedOcc 0
13 mol 115 unq 5 iso 0 dist 5.91786 8.64107 7.09627 5.31483 9.41083 9.28214 6.68557 7.83568 11.5333 11.8582 numMergedOcc 0
14 mol 115 unq 6 iso 0 dist 5.91786 9.50575 7.10772 5.31483 9.41083 14.3348 4.82909 6.20658 11.2489 4.45342 numMergedOcc 0
15 mol 115 unq 7 iso 0 dist 5.91786 9.50575 7.10772 5.31483 9.41083 14.3348 6.68557 7.83568 5.11551 11.8582 numMergedOcc 0
16 mol 189 unq 0 iso 0 dist 8.01521 8.59972 6.36139 9.29575 6.38294 11.5748 5.56399 8.57361 10.4329 6.35993 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 5.81446 7.74348 5.90804 9.62351 9.96011 14.3101 13.0929 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 8.80671 7.49412 6.81625 14.8289 7.74348 10.7277 7.47558 9.96011 11.6077 13.0929 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 7.52886 7.26758 12.8359 5.3674 6.40592 7.4631 7.3737 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 4.95392 7.58385 13.5435 6.39263 8.50313 8.45658 6.88989 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 6.93654 9.80409 13.3163 6.94755 6.0437 12.1908 6.39263 8.50313 8.45658 4.25662 numMergedOcc 0
22 mol 261 unq 2 iso 0 dist 9.66298 9.80409 13.6041 6.94755 4.85199 12.1908 6.39263 7.6414 8.45658 4.25662 numMergedOcc 0
23 mol 261 unq 3 iso 0 dist 9.66298 9.80409 13.6041 17.3605 9.72159 20.1172 6.39263 7.6414 8.45658 12.864 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 7.29081 9.79022 11.0966 12.2394 5.78262 16.2765 12.0564 6.54753 17.4399 4.77695 numMergedOcc 0
25 mol 273 unq 1 iso 0 dist 7.29081 9.79022 11.0966 7.5139 7.6489 15.7926 12.0564 6.54753 17.4399 9.01117 numMergedOcc 0
26 mol 281 unq 0 iso 0 dist 6.81536 9.37845 5.81338 9.38089 7.65321 12.2104 7.23848 9.65665 14.518 6.20237 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 4.98604 7.95849 5.10722 5.51191 6.45597 9.32175 8.54773 7.13655 11.3696 5.37435 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 4.98604 7.95849 5.10722 5.51191 6.45597 9.32175 8.54773 7.13655 11.3696 5.37435 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 4.98604 7.95849 5.10722 5.51191 6.45597 9.32175 8.54773 7.13655 11.3696 5.37435 numMergedOcc 0
