0 mol 17 unq 0 iso 0 dist 5.92243 9.84612 13.6968 5.70783 11.3244 7.82406 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.40009 8.87604 5.60953 7.89092 9.95011 8.19695 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 4.31912 7.98414 7.14527 6.44894 7.48825 4.62858 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.62501 8.55279 7.0313 4.50806 6.5096 9.2902 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 6.4786 7.63526 5.11693 8.05989 11.022 7.46994 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 8.82363 6.03852 8.7258 5.29975 6.2135 5.26989 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 8.82363 6.26056 6.67552 5.29975 6.2135 7.76442 numMergedOcc 0
7 mol 141 unq 2 iso 0 dist 5.76702 8.97069 8.7258 6.38237 6.2135 5.26989 numMergedOcc 0
8 mol 141 unq 3 iso 0 dist 5.76702 5.7251 6.67552 6.38237 6.2135 7.76442 numMergedOcc 0
9 mol 225 unq 0 iso 0 dist 8.23463 6.27438 5.25065 6.4725 9.36396 9.47117 numMergedOcc 0
10 mol 234 unq 0 iso 0 dist 5.99388 9.45787 7.17691 5.04225 8.49841 7.43663 numMergedOcc 0
11 mol 234 unq 1 iso 0 dist 5.99388 9.45787 7.17691 12.3321 11.8534 7.94068 numMergedOcc 0
12 mol 243 unq 0 iso 0 dist 9.8043 7.24253 4.78857 5.32118 9.1101 7.12785 numMergedOcc 0
13 mol 243 unq 1 iso 0 dist 9.8043 7.24253 4.78857 11.4546 8.93338 6.66959 numMergedOcc 0
14 mol 280 unq 0 iso 0 dist 9.94185 9.44925 4.45514 12.6974 9.95465 5.80452 numMergedOcc 0
15 mol 280 unq 1 iso 0 dist 9.94185 9.44925 4.45514 10.4861 9.69863 7.82157 numMergedOcc 0
