0 mol 9 unq 0 iso 0 dist 9.16444 5.86578 7.32257 11.4615 6.14147 6.55811 10.9241 11.0167 5.43306 7.36018 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.16444 5.86578 7.32257 11.4615 6.14147 6.55811 10.699 10.0547 6.17866 8.48677 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.16444 5.86578 7.32257 13.4922 10.5747 8.64915 10.9241 11.0167 5.43306 8.17347 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 9.16444 5.86578 7.32257 13.4922 10.5747 8.64915 16.8142 15.8978 11.3401 7.83133 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 15.5985 14.6259 8.4051 14.6271 17.6854 14.1082 8.23446 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.20058 13.4836 8.60554 15.5985 14.6259 8.4051 9.04355 9.44691 9.62033 8.75662 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.20058 13.4836 8.60554 17.2959 10.0952 7.29868 19.0659 13.4393 6.16544 9.01567 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.20058 13.4836 8.60554 17.2959 10.0952 7.29868 20.6692 12.9284 10.2653 7.33768 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.20058 9.04355 9.44691 15.5985 14.6259 8.75662 13.4836 8.60554 9.62033 8.4051 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.20058 9.04355 9.44691 15.5985 14.6259 8.75662 14.6271 17.6854 11.342 8.23446 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 6.23095 12.1434 8.6653 11.9439 10.6808 7.92503 15.3249 16.0183 12.7398 6.16347 numMergedOcc 0
11 mol 125 unq 0 iso 0 dist 6.03557 6.46489 7.73435 10.231 5.20403 8.76789 8.27647 9.3778 4.38093 9.08382 numMergedOcc 0
12 mol 125 unq 1 iso 0 dist 6.03557 8.27647 9.3778 10.231 5.20403 9.08382 6.46489 7.73435 4.38093 8.76789 numMergedOcc 0
13 mol 125 unq 2 iso 0 dist 7.76202 7.74181 7.47069 13.6357 9.34412 9.08382 11.1934 11.1764 4.38093 8.76789 numMergedOcc 0
14 mol 125 unq 3 iso 0 dist 7.76202 7.74181 7.47069 13.0388 11.8325 9.3778 11.1934 11.1764 4.38093 7.73435 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 7.11647 5.02458 7.90267 9.19499 5.56175 9.44367 15.8724 14.7758 16.7026 9.47433 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 7.13441 8.99392 8.24693 12.2067 7.31409 5.93786 5.68701 6.71356 3.98338 8.1344 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 7.13441 5.68701 6.71356 12.2067 7.31409 8.1344 8.99392 8.24693 3.98338 5.93786 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.90247 6.56225 6.2479 10.3907 8.88798 7.99195 8.4916 14.2254 12.1167 9.72611 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.58792 6.56225 6.22122 10.3907 12.6324 7.99195 8.4916 14.6449 12.1167 9.72611 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.3705 11.3703 9.26504 15.8199 10.7531 7.36683 15.8827 14.0524 9.90317 6.95086 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 9.75141 10.9044 8.14332 13.93 5.45334 7.73322 18.9951 11.8877 13.2902 7.37798 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 5.82876 4.48276 7.46394 12.6563 10.501 9.45514 12.8602 10.672 10.7637 6.39866 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 8.71129 4.48276 7.1729 12.6563 6.828 9.45514 12.8602 10.6913 10.7637 6.39866 numMergedOcc 0
