0 mol 21 unq 0 iso 0 dist 9.19322 14.2892 8.85347 14.7812 7.30688 7.08873 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 9.19322 14.2892 8.85347 6.37687 6.70786 11.1907 numMergedOcc 0
2 mol 21 unq 2 iso 0 dist 9.19322 14.2892 8.85347 9.29021 8.16395 9.73407 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 7.72123 4.43656 8.62669 7.13301 8.79235 10.4432 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.95021 4.16248 9.58468 3.73561 6.88243 6.24991 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 9.3877 13.394 8.21553 5.26906 7.50921 10.9021 numMergedOcc 0
6 mol 71 unq 1 iso 0 dist 9.3877 7.15395 8.22762 5.26906 7.50921 5.93189 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.41313 7.52218 9.89021 15.0948 7.69222 15.8457 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.41313 7.52218 9.89021 14.5973 5.82056 14.3818 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 9.41313 7.52218 9.89021 18.4582 9.09115 16.9684 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 9.43893 9.0996 9.99029 4.94204 9.71315 6.9648 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 9.1678 7.85804 8.34161 7.62254 4.89503 5.43727 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 9.1678 11.6539 6.95381 7.62254 4.89503 6.05886 numMergedOcc 0
13 mol 158 unq 2 iso 0 dist 9.94593 11.5799 8.34161 9.50276 4.89503 5.43727 numMergedOcc 0
14 mol 158 unq 3 iso 0 dist 9.94593 14.4559 6.95381 9.50276 4.89503 6.05886 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 8.87968 4.87938 8.84671 10.9596 6.95244 7.73027 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 8.87968 4.87938 8.84671 8.8578 6.11224 8.97627 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.72113 10.479 9.08672 5.62911 9.77333 7.31335 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 8.73074 7.34126 7.24395 13.3819 7.7619 7.07534 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 7.74406 6.61663 9.4835 7.96442 8.44407 13.9529 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 7.74406 6.61663 9.4835 3.87538 6.0155 8.52282 numMergedOcc 0
21 mol 214 unq 2 iso 0 dist 7.74406 6.61663 9.4835 11.5715 8.89981 8.48942 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 5.51354 6.75711 9.88212 3.85734 7.9987 6.04002 numMergedOcc 0
23 mol 223 unq 0 iso 0 dist 9.10041 11.1577 9.94212 10.8541 7.5808 9.46742 numMergedOcc 0
24 mol 223 unq 1 iso 0 dist 9.10041 14.2827 7.34316 10.8541 7.5808 5.30405 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.88518 5.29393 9.67877 9.29502 9.6327 6.95359 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.88518 17.2521 8.81059 9.29502 9.6327 13.987 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 8.88518 16.8571 9.12006 9.29502 9.6327 15.8856 numMergedOcc 0
28 mol 258 unq 3 iso 0 dist 9.44669 6.50764 8.55181 14.2548 9.81589 10.9591 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 9.70632 4.97892 7.72749 6.11441 4.93584 4.74189 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 8.93979 4.51764 5.17586 12.3223 7.03656 8.4236 numMergedOcc 0
