0 mol 10 unq 0 iso 0 dist 8.38836 6.02543 5.61051 9.61828 11.4156 6.18431 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.40479 8.24948 9.57743 6.99746 4.90592 5.80953 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.38831 8.24948 4.47891 6.99746 9.36461 5.80953 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.58012 7.96195 5.11135 9.22115 9.32328 4.44526 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.58012 7.96195 5.11135 9.15493 8.16324 9.586 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 5.51624 7.8435 4.97727 15.8624 12.9895 9.19977 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 5.51624 7.8435 4.97727 14.7862 11.9258 7.28831 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 5.51624 7.8435 4.97727 9.42916 10.6771 9.71411 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 7.8674 7.8435 13.8087 15.8624 21.5481 9.19977 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 7.8674 7.8435 13.8087 14.7862 19.7572 7.28831 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 7.8674 7.8435 13.8087 9.42916 14.1075 9.71411 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 8.44437 7.44838 9.02856 4.22355 7.09806 7.77089 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.03035 9.57341 6.29394 14.8901 14.7366 8.67537 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.6968 9.57341 9.64502 14.8901 15.9094 8.67537 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.76594 6.78801 4.24991 5.66194 5.39061 7.75314 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.26172 6.77921 10.2834 5.38571 11.5185 6.65731 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 9.14458 9.82982 17.2648 13.1849 20.1324 8.71789 numMergedOcc 0
17 mol 154 unq 1 iso 0 dist 9.14458 9.82982 17.2648 11.4511 20.0833 5.2693 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 9.75627 8.999 6.1593 11.6944 8.1536 7.47964 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.12349 8.31881 6.38897 6.16503 4.5271 6.88127 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 5.52678 5.53324 5.28603 5.92931 6.37788 4.19371 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 5.52678 6.72182 9.8803 7.50057 12.6186 9.00322 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 9.81666 5.53324 11.0713 5.92931 8.7028 4.19371 numMergedOcc 0
23 mol 194 unq 3 iso 0 dist 9.81666 6.72182 15.9964 7.50057 15.8032 9.00322 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 6.53728 7.8744 11.6976 8.98957 13.131 6.94762 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 6.53728 7.8744 11.6976 6.59663 8.20162 7.7086 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 9.56257 9.43618 7.3164 12.8075 14.3567 9.18728 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 9.56257 9.43618 7.3164 4.59123 12.135 8.91971 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 8.55481 5.9974 4.34126 12.0545 7.39391 8.09509 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 8.3149 9.50634 5.38958 7.16782 7.99521 9.31888 numMergedOcc 0
