0 mol 12 unq 0 iso 0 dist 7.4036 8.79013 5.21734 7.00079 5.76024 10.2159 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.4036 8.79013 5.21734 6.50215 7.92714 12.1384 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 7.4036 8.79013 5.21734 12.5814 8.47217 11.6695 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.34599 7.54282 5.29055 13.7277 7.35861 12.3279 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.32127 7.54282 4.76998 8.08257 6.56527 6.81793 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 9.52676 6.86391 10.5941 9.5746 7.48846 13.4061 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 7.43804 7.6935 3.92737 13.8217 7.36769 9.25444 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 7.43804 7.6935 3.92737 12.9299 6.88901 8.46823 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 7.43804 8.71558 3.94967 13.8217 7.36769 9.84703 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 7.43804 8.71558 3.94967 12.9299 6.88901 4.62494 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 8.6317 9.69767 10.0546 6.24872 6.11502 12.6339 numMergedOcc 0
11 mol 125 unq 1 iso 0 dist 8.6317 9.69767 10.0546 10.4668 6.33431 14.8345 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 9.45931 7.20083 11.0215 7.98447 6.75376 11.431 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.35397 7.20083 10.7779 7.98447 9.10042 11.431 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 6.35397 7.20083 10.7779 8.12085 9.75059 13.8298 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 6.35397 7.20083 10.7779 10.1812 6.83404 16.4915 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 5.92785 8.32647 7.81466 9.41221 7.54099 7.81263 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 5.21339 8.58805 6.98225 10.6902 9.62455 15.4971 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 9.5174 9.41222 6.40609 12.9088 9.70149 15.7001 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 5.61727 6.52085 5.54042 8.51351 7.34931 10.8231 numMergedOcc 0
20 mol 284 unq 1 iso 0 dist 5.61727 9.84174 14.3479 8.51351 7.34931 16.5656 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 5.67671 6.01636 6.56416 5.30062 8.25485 7.83214 numMergedOcc 0
