0 mol 33 unq 0 iso 0 dist 7.89306 7.1375 8.28474 5.71433 4.78873 5.27955 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.26566 6.07491 8.82347 5.08181 7.7485 5.80177 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 7.69755 10.7694 9.55089 4.12785 7.50925 11.1698 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 7.69755 10.7694 9.55089 6.83349 6.96722 4.27327 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 9.64197 10.9198 9.55089 9.58199 7.50925 11.1698 numMergedOcc 0
5 mol 83 unq 3 iso 0 dist 9.64197 10.9198 9.55089 8.6522 6.96722 4.27327 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.63446 10.1695 9.47481 4.77556 5.24346 7.58344 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 8.11813 7.40992 7.36025 6.42834 4.91212 4.21801 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 8.11813 7.40992 7.36025 15.1151 9.34782 10.0002 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.97766 8.42816 6.7279 5.86994 4.87942 4.41312 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 9.81055 11.9612 9.60788 11.7008 4.68722 13.5754 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 9.81055 11.9612 9.60788 14.7138 5.18325 13.2754 numMergedOcc 0
12 mol 253 unq 0 iso 0 dist 6.93942 8.79627 9.137 8.8893 8.66299 15.9194 numMergedOcc 0
13 mol 253 unq 1 iso 0 dist 9.31626 5.05272 9.137 13.3075 8.66299 15.9194 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 6.90472 10.4884 7.30584 11.9315 8.62655 13.4352 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 4.95415 9.62862 7.66814 12.2408 7.80711 6.83135 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 4.95415 9.62862 7.66814 13.1028 9.9965 13.3286 numMergedOcc 0
17 mol 266 unq 2 iso 0 dist 6.38519 5.25529 7.66814 5.34431 7.80711 6.83135 numMergedOcc 0
18 mol 266 unq 3 iso 0 dist 6.38519 5.25529 7.66814 8.39575 9.9965 13.3286 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 8.2236 15.479 8.2474 8.4652 5.6964 9.61671 numMergedOcc 0
