0 mol 7 unq 0 iso 0 dist 8.02892 6.11915 6.14469 6.72215 6.55304 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.02892 6.11915 6.14469 12.8863 6.34041 8.72114 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 9.34193 13.1258 8.97364 10.5768 5.94827 9.90939 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 8.66742 5.97684 5.50508 7.86724 9.52327 5.9465 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 8.66742 5.97684 5.50508 10.6665 11.641 6.97962 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 8.66742 5.97684 5.50508 12.4378 7.34683 9.95342 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 4.96613 5.24592 7.14031 9.59261 11.3905 5.78706 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 4.96613 5.24592 7.14031 11.7102 14.2646 7.23884 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 4.96613 5.24592 7.14031 6.67936 4.67519 5.59328 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 4.96613 5.24592 7.14031 8.25817 10.4027 7.5242 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 9.1593 12.6358 9.5057 16.6322 10.6848 7.01812 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 9.1593 12.6358 9.5057 18.9281 15.3454 8.30845 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.13508 5.01597 7.20249 9.93703 7.45148 8.99399 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.86237 4.68204 9.73158 11.5151 4.55551 9.36851 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 9.86237 9.09658 7.59327 11.5151 4.55551 4.97175 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 8.60394 6.63678 5.41575 12.9356 5.52796 7.30357 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 8.60394 10.2316 6.86566 12.9356 5.52796 8.61587 numMergedOcc 0
17 mol 156 unq 2 iso 0 dist 8.32227 5.46268 5.9976 12.407 5.18356 9.00416 numMergedOcc 0
18 mol 156 unq 3 iso 0 dist 8.32227 4.78734 6.86566 12.4191 12.212 8.73722 numMergedOcc 0
19 mol 156 unq 4 iso 0 dist 9.6281 9.69888 8.37434 7.30021 5.4555 9.4013 numMergedOcc 0
20 mol 156 unq 5 iso 0 dist 6.22667 5.36066 8.37434 10.0734 5.4555 9.4013 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 5.67112 5.87168 5.94379 6.00053 7.16549 6.59025 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 5.0207 8.44389 7.54099 11.3917 8.08596 6.42735 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 9.99783 12.9926 9.36796 16.2734 14.8459 8.77999 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.92671 13.2481 9.78181 11.9642 6.2188 8.50102 numMergedOcc 0
25 mol 232 unq 1 iso 0 dist 9.92671 13.2481 9.78181 16.209 12.5452 9.40808 numMergedOcc 0
26 mol 232 unq 2 iso 0 dist 6.23146 13.2043 9.8664 11.6886 12.3508 8.50102 numMergedOcc 0
27 mol 232 unq 3 iso 0 dist 6.23146 13.2043 9.8664 9.36645 8.80479 9.40808 numMergedOcc 0
28 mol 237 unq 0 iso 0 dist 5.62039 8.50643 8.10254 13.9688 11.1554 9.16003 numMergedOcc 0
29 mol 271 unq 0 iso 0 dist 5.70063 7.0065 5.92274 14.033 8.66946 9.70714 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.02661 14.7933 6.88827 12.0331 5.29529 9.85289 numMergedOcc 0
