0 mol 4 unq 0 iso 0 dist 8.23852 6.10734 6.996 6.21799 9.9042 5.58487 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.53436 5.66059 5.94028 6.178 7.69328 5.40169 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.06263 8.87151 6.99666 4.28426 8.8466 6.40693 numMergedOcc 0
3 mol 96 unq 0 iso 0 dist 9.73668 8.9536 10.5085 8.36645 14.8597 7.3964 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.87856 6.04768 11.3708 10.8678 10.8121 6.62972 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 6.2491 6.04768 7.43547 10.8678 11.2452 6.62972 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 3.59451 9.40173 7.43547 13.5865 11.2452 6.62972 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.26463 8.61574 13.6411 6.89245 12.4974 7.91683 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 9.07096 8.05937 6.4025 5.53632 13.5527 9.9151 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 9.29439 9.21645 5.8134 8.22571 10.44 7.12072 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 8.26291 6.87196 7.91054 11.923 16.7453 9.13191 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 5.50364 5.43662 4.17212 6.3223 9.77097 6.48674 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.7301 5.43662 9.64263 6.3223 12.3744 6.48674 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 6.47989 8.32841 5.46268 14.911 12.1898 7.46845 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 7.6956 8.68243 6.03252 13.082 13.0055 9.79069 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 5.19654 6.28889 7.03947 11.6364 13.1731 8.67745 numMergedOcc 0
16 mol 193 unq 1 iso 0 dist 5.19654 6.28889 7.03947 8.4769 9.68134 9.41624 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 7.68078 8.78652 11.256 5.20757 11.3772 5.57779 numMergedOcc 0
18 mol 210 unq 1 iso 0 dist 7.68078 9.01437 12.6561 5.20757 11.3772 7.05649 numMergedOcc 0
19 mol 210 unq 2 iso 0 dist 9.26518 8.78652 11.3555 5.20757 8.53457 5.57779 numMergedOcc 0
20 mol 210 unq 3 iso 0 dist 9.26518 9.01437 4.94588 5.20757 8.53457 7.05649 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.58709 7.58118 4.39102 6.71715 6.50846 5.37796 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 9.05082 6.82883 7.93097 7.21532 5.01717 6.26945 numMergedOcc 0
23 mol 226 unq 1 iso 0 dist 9.05082 6.95495 4.87605 7.21532 5.01717 6.37744 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.78444 6.47859 10.225 5.71442 13.5774 5.0804 numMergedOcc 0
25 mol 248 unq 0 iso 0 dist 9.8995 8.80866 5.35196 9.94694 11.7809 7.97135 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 9.42193 9.1191 5.53685 9.71846 6.88874 7.39391 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.18179 7.61501 14.2071 5.15042 12.5559 8.55729 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 7.45556 7.61501 4.45759 5.15042 9.99383 8.55729 numMergedOcc 0
29 mol 279 unq 2 iso 0 dist 5.25218 7.61501 5.65772 5.15042 4.96272 8.55729 numMergedOcc 0
