0 mol 0 unq 0 iso 0 dist 9.86169 6.00353 9.00092 12.1485 6.82542 9.38507 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.04448 15.0242 7.26334 14.3723 5.95865 5.9372 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.04448 15.0242 7.26334 15.2582 6.61332 8.17583 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.04448 11.9306 6.19899 5.94343 3.53396 7.03544 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.04448 11.9306 6.19899 14.3723 5.95865 6.93597 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.04448 6.2838 6.61696 5.42968 9.24731 7.85986 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 9.04448 6.2838 6.61696 5.94343 3.53396 4.30252 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.6834 6.2838 5.80953 5.42968 11.1587 7.85986 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 6.6834 6.2838 5.80953 5.94343 8.72577 4.30252 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.49235 12.8733 9.19977 18.1502 13.1331 5.56839 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.49235 11.3276 7.28831 18.1502 13.1331 7.83506 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.7231 5.7124 7.75314 12.4202 6.95147 7.84546 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 5.05627 4.96213 6.65731 13.7602 14.5559 9.38036 numMergedOcc 0
13 mol 160 unq 0 iso 0 dist 8.27864 8.44697 6.41119 10.9487 3.73121 9.19735 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 9.70796 4.67112 6.05009 6.85177 13.7198 7.85698 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 9.70796 4.67112 6.05009 12.6057 3.33711 8.75484 numMergedOcc 0
16 mol 188 unq 0 iso 0 dist 8.01604 5.58576 8.66624 9.81333 3.42559 8.34477 numMergedOcc 0
17 mol 188 unq 1 iso 0 dist 7.03264 9.66868 8.66624 9.84276 3.42559 8.34477 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 5.06367 6.94323 8.15661 8.29723 9.3899 9.9042 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 6.19564 8.565 9.31888 10.1475 7.35802 6.49413 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 6.19564 8.565 9.31888 8.90109 9.94995 6.12343 numMergedOcc 0
21 mol 260 unq 2 iso 0 dist 6.19564 8.565 9.31888 13.0717 12.8784 4.52405 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 7.64703 11.5711 8.60027 15.5284 10.6981 8.09181 numMergedOcc 0
