0 mol 2 unq 0 iso 0 dist 9.53758 15.6678 6.3286 17.4203 9.57674 8.16405 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.53901 11.8271 8.96839 13.4307 7.42925 5.50617 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 6.71332 8.55052 7.79718 7.72958 9.03987 4.07844 numMergedOcc 0
3 mol 71 unq 1 iso 0 dist 4.87423 6.93183 7.79718 5.86791 9.03987 4.07844 numMergedOcc 0
4 mol 71 unq 2 iso 0 dist 4.76283 10.0904 7.79718 9.2661 9.03987 4.07844 numMergedOcc 0
5 mol 71 unq 3 iso 0 dist 7.75237 6.93183 7.30552 5.86791 8.63476 4.07844 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 9.14778 13.5377 8.49775 7.88685 9.67681 10.2017 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.38035 8.49402 9.35573 4.36082 9.37051 6.93115 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.26291 6.08871 9.15278 9.33864 5.05277 9.34445 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 8.26291 7.99295 9.05561 9.33864 5.05277 7.16343 numMergedOcc 0
10 mol 130 unq 2 iso 0 dist 7.86001 14.8457 9.15278 5.6007 5.05277 9.34445 numMergedOcc 0
11 mol 130 unq 3 iso 0 dist 7.86001 12.7196 9.05561 5.6007 5.05277 7.16343 numMergedOcc 0
12 mol 135 unq 0 iso 0 dist 7.54797 6.00133 9.2927 10.6553 9.03598 13.1573 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 6.11382 5.29732 6.39437 13.85 8.56136 12.9861 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 7.14871 5.73014 7.33624 5.10459 7.32556 5.45998 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 7.14871 5.73014 7.33624 9.24673 9.28689 9.52279 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 7.14871 5.73014 7.33624 8.92958 9.1654 4.04737 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 7.98941 7.48081 6.65093 14.1483 9.30312 10.8057 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.78008 10.3638 9.42537 5.41296 5.4347 8.05078 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 9.16791 10.0309 7.94491 13.1939 9.69025 10.7343 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 8.19772 5.46761 5.8374 11.7401 7.49913 9.1668 numMergedOcc 0
