0 mol 17 unq 0 iso 0 dist 9.84612 5.57445 9.78918 9.52568 14.8435 9.26685 numMergedOcc 0
1 mol 102 unq 0 iso 0 dist 8.48638 12.0088 9.2062 14.525 6.69798 8.63522 numMergedOcc 0
2 mol 102 unq 1 iso 0 dist 8.48638 12.0088 9.2062 11.6983 5.6591 5.43401 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 6.75179 7.32598 7.81731 6.11155 4.69874 9.95726 numMergedOcc 0
4 mol 120 unq 0 iso 0 dist 6.50614 4.30031 5.12002 9.66306 10.1606 9.18835 numMergedOcc 0
5 mol 120 unq 1 iso 0 dist 9.2903 4.30031 8.46914 9.66306 5.30162 9.18835 numMergedOcc 0
6 mol 120 unq 2 iso 0 dist 9.97264 6.91192 5.12002 13.9181 10.1606 9.18835 numMergedOcc 0
7 mol 120 unq 3 iso 0 dist 9.29305 8.74749 5.12002 11.1749 10.1606 9.18835 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.3604 7.65385 8.71007 9.42642 4.8653 8.56593 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 9.70728 13.8498 9.31172 17.3696 14.253 5.97008 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 9.22885 17.8478 9.33514 21.6544 13.1451 9.17355 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 8.70651 15.6085 8.27761 11.4218 5.39184 6.82688 numMergedOcc 0
12 mol 257 unq 0 iso 0 dist 9.5789 13.1181 8.64133 16.1475 11.0338 6.51449 numMergedOcc 0
13 mol 257 unq 1 iso 0 dist 9.5789 13.1181 8.64133 17.7962 8.81343 9.50221 numMergedOcc 0
14 mol 257 unq 2 iso 0 dist 9.34175 15.7248 8.64133 17.978 11.0338 6.51449 numMergedOcc 0
15 mol 257 unq 3 iso 0 dist 9.34175 15.7248 8.64133 17.989 8.81343 9.50221 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 7.47906 5.35817 9.24164 10.5016 9.43169 8.57035 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 8.56844 11.6396 9.24164 16.6839 9.43169 8.57035 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 9.44925 16.5309 7.42529 19.2113 11.1898 8.57733 numMergedOcc 0
19 mol 280 unq 1 iso 0 dist 9.44925 16.5309 7.42529 17.5546 11.0648 9.05509 numMergedOcc 0
20 mol 280 unq 2 iso 0 dist 9.44925 9.0925 9.38952 12.5945 11.9041 7.02503 numMergedOcc 0
