0 mol 5 unq 0 iso 0 dist 6.66949 11.5151 6.86923 7.24092 7.50453 11.3755 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.66949 12.4484 9.95226 7.24092 7.50453 10.3572 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 6.66949 4.25268 4.60775 7.24092 7.50453 5.90479 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 6.66949 10.2365 8.64744 7.24092 7.50453 4.59167 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 5.11382 4.71974 7.61183 4.79206 7.7447 5.37421 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 5.78231 6.25789 7.72377 9.26879 8.78511 9.9172 numMergedOcc 0
6 mol 32 unq 1 iso 0 dist 9.41538 7.2488 7.72377 7.64485 8.78511 9.9172 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 5.81662 10.2011 7.44805 8.70524 5.4713 3.66253 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 6.51901 9.59858 7.01397 5.90259 7.16844 11.5628 numMergedOcc 0
9 mol 62 unq 1 iso 0 dist 9.1926 15.1484 7.01397 6.38075 7.16844 11.5628 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.56288 4.77114 8.67342 8.175 4.29937 7.74857 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 6.56288 4.77114 8.67342 9.3414 3.65628 10.4876 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 6.56288 4.77114 8.67342 14.8394 9.77774 18.2213 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 6.56288 4.4924 5.73739 8.175 4.29937 9.36582 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 6.56288 4.4924 5.73739 9.3414 3.65628 8.8983 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 6.56288 4.4924 5.73739 14.8394 9.77774 11.1809 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 5.97559 4.77114 8.60062 8.175 5.37869 7.74857 numMergedOcc 0
17 mol 85 unq 7 iso 0 dist 5.97559 4.77114 8.60062 9.3414 4.05415 10.4876 numMergedOcc 0
18 mol 85 unq 8 iso 0 dist 5.97559 4.77114 8.60062 14.8394 9.97944 18.2213 numMergedOcc 0
19 mol 85 unq 9 iso 0 dist 5.97559 4.4924 5.16225 8.175 5.37869 9.36582 numMergedOcc 0
20 mol 85 unq 10 iso 0 dist 5.97559 4.4924 5.16225 9.3414 4.05415 8.8983 numMergedOcc 0
21 mol 85 unq 11 iso 0 dist 5.97559 4.4924 5.16225 14.8394 9.97944 11.1809 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 5.96189 6.538 7.14241 8.99253 8.28591 4.85981 numMergedOcc 0
23 mol 93 unq 1 iso 0 dist 5.96189 6.538 7.14241 3.78587 5.35008 4.03764 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 5.96189 6.538 7.14241 10.5386 8.30921 14.2411 numMergedOcc 0
25 mol 176 unq 0 iso 0 dist 8.5107 3.91623 8.0255 10.4037 9.9109 6.79029 numMergedOcc 0
26 mol 176 unq 1 iso 0 dist 8.90797 9.04134 8.0255 15.1544 9.9109 6.79029 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 6.91764 7.29037 8.35588 5.72704 7.36794 11.3012 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 6.91764 7.29037 8.35588 5.72963 5.81881 11.3698 numMergedOcc 0
29 mol 193 unq 0 iso 0 dist 7.73964 10.3389 9.00084 4.0847 6.94187 6.90307 numMergedOcc 0
30 mol 193 unq 1 iso 0 dist 7.73964 3.79373 9.50113 4.0847 6.94187 7.03555 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 7.45508 7.24465 4.44509 10.7383 7.97504 4.08014 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 5.28746 4.79328 7.74133 11.5675 8.20376 15.5262 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 8.4625 11.9132 5.55176 8.93497 4.93516 5.06236 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 8.4625 11.9132 5.55176 8.93497 4.93516 5.06236 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 8.4625 11.9132 5.55176 8.93497 4.93516 5.06236 numMergedOcc 0
