0 mol 25 unq 0 iso 0 dist 9.36326 8.26412 7.1845 8.94262 9.01438 4.99257 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 9.36326 8.94262 9.01438 8.26412 7.1845 4.99257 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.94949 8.66089 9.4947 6.9181 12.488 5.83486 numMergedOcc 0
3 mol 33 unq 0 iso 1 dist 8.94949 6.9181 12.488 8.66089 9.4947 5.83486 numMergedOcc 0
4 mol 33 unq 1 iso 0 dist 8.94949 8.66089 9.4947 5.84349 14.0108 10.7004 numMergedOcc 0
5 mol 33 unq 1 iso 1 dist 8.94949 5.84349 14.0108 8.66089 9.4947 10.7004 numMergedOcc 0
6 mol 33 unq 1 iso 0 dist 8.94949 6.9181 12.488 5.84349 14.0108 5.58017 numMergedOcc 0
7 mol 33 unq 1 iso 1 dist 8.94949 5.84349 14.0108 6.9181 12.488 5.58017 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 8.8197 7.93454 4.53851 9.06898 5.31195 3.39994 numMergedOcc 0
9 mol 34 unq 0 iso 1 dist 8.8197 9.06898 5.31195 7.93454 4.53851 3.39994 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 7.13638 8.26586 4.39445 9.76234 10.7557 7.13086 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 7.13638 9.76234 10.7557 8.26586 4.39445 7.13086 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.62096 8.52697 17.0218 9.66612 16.4359 3.78041 numMergedOcc 0
13 mol 79 unq 0 iso 1 dist 9.62096 9.66612 16.4359 8.52697 17.0218 3.78041 numMergedOcc 0
14 mol 79 unq 1 iso 0 dist 7.93317 8.52697 13.5391 9.66612 12.6233 3.78041 numMergedOcc 0
15 mol 79 unq 1 iso 1 dist 7.93317 9.66612 12.6233 8.52697 13.5391 3.78041 numMergedOcc 0
16 mol 79 unq 2 iso 0 dist 7.11013 8.52697 4.1859 9.66612 6.90535 3.78041 numMergedOcc 0
17 mol 79 unq 2 iso 1 dist 7.11013 9.66612 6.90535 8.52697 4.1859 3.78041 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.46478 6.24296 7.2898 6.83218 4.13305 3.78063 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 7.46478 6.83218 4.13305 6.24296 7.2898 3.78063 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 5.77804 9.43355 12.1673 5.64141 7.30779 5.21654 numMergedOcc 0
21 mol 93 unq 0 iso 1 dist 5.77804 5.64141 7.30779 9.43355 12.1673 5.21654 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 5.77804 9.43355 12.1673 5.46186 9.18194 13.3531 numMergedOcc 0
23 mol 93 unq 1 iso 1 dist 5.77804 5.46186 9.18194 9.43355 12.1673 13.3531 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 5.77804 5.64141 7.30779 5.46186 9.18194 10.7398 numMergedOcc 0
25 mol 93 unq 1 iso 1 dist 5.77804 5.46186 9.18194 5.64141 7.30779 10.7398 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 9.36283 6.17349 9.00091 9.21978 6.04071 11.044 numMergedOcc 0
27 mol 115 unq 0 iso 1 dist 9.36283 9.21978 6.04071 6.17349 9.00091 11.044 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 8.6925 9.27411 6.24057 5.81317 5.9858 3.48075 numMergedOcc 0
29 mol 213 unq 0 iso 1 dist 8.6925 5.81317 5.9858 9.27411 6.24057 3.48075 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 9.85284 9.49016 10.9216 8.92798 8.76406 6.26616 numMergedOcc 0
31 mol 243 unq 0 iso 1 dist 9.85284 8.92798 8.76406 9.49016 10.9216 6.26616 numMergedOcc 0
