0 mol 8 unq 0 iso 0 dist 7.61253 13.2872 8.73998 19.1521 13.0138 8.76702 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.61253 13.2872 8.73998 13.2172 5.95251 6.27477 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.89531 11.096 8.73998 17.9509 13.0138 8.76702 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.89531 11.096 8.73998 13.1475 5.95251 6.27477 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 8.5884 6.99048 8.17979 9.8269 10.6394 7.23594 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.80157 6.94361 8.41008 9.40763 12.4427 7.0928 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.26423 10.8566 6.47468 15.9619 13.0793 8.97292 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 8.26423 10.8566 6.47468 15.872 8.64013 6.85083 numMergedOcc 0
8 mol 59 unq 2 iso 0 dist 8.82919 7.8934 6.47468 16.6597 13.0793 8.97292 numMergedOcc 0
9 mol 59 unq 3 iso 0 dist 8.82919 7.8934 6.47468 10.9472 8.64013 6.85083 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 8.18795 7.94092 5.97418 13.6297 6.44323 8.60577 numMergedOcc 0
11 mol 63 unq 0 iso 0 dist 6.57773 8.11469 7.14979 8.74231 7.43519 9.84668 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 6.2972 6.25645 8.20839 9.61096 8.8408 6.27528 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 9.26301 14.683 5.66196 11.1736 5.24877 5.87387 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 9.26301 14.683 5.66196 15.8306 8.47567 6.06543 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 8.50192 10.708 6.78551 12.2554 6.28781 5.09114 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 6.17633 6.35578 5.86949 9.64123 5.34721 8.62898 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 6.17633 9.28852 6.72591 17.6693 12.9245 9.7168 numMergedOcc 0
18 mol 148 unq 2 iso 0 dist 6.17633 9.28852 6.72591 15.3189 10.5987 7.38138 numMergedOcc 0
19 mol 148 unq 3 iso 0 dist 9.32264 6.16086 5.86949 11.8523 5.34721 8.62898 numMergedOcc 0
20 mol 148 unq 4 iso 0 dist 9.32264 12.2447 6.72591 21.2603 12.9245 9.7168 numMergedOcc 0
21 mol 148 unq 5 iso 0 dist 9.32264 12.2447 6.72591 17.4732 10.5987 7.38138 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 6.20295 6.38431 5.84971 9.72257 5.38822 8.6102 numMergedOcc 0
23 mol 150 unq 1 iso 0 dist 6.20295 9.28339 6.80192 17.5391 12.8684 9.61132 numMergedOcc 0
24 mol 150 unq 2 iso 0 dist 6.20295 9.28339 6.80192 15.2123 10.4881 7.34423 numMergedOcc 0
25 mol 150 unq 3 iso 0 dist 9.34249 6.11114 5.84971 11.8819 5.38822 8.6102 numMergedOcc 0
26 mol 150 unq 4 iso 0 dist 9.34249 12.2778 6.80192 21.1821 12.8684 9.61132 numMergedOcc 0
27 mol 150 unq 5 iso 0 dist 9.34249 12.2778 6.80192 17.3556 10.4881 7.34423 numMergedOcc 0
28 mol 160 unq 0 iso 0 dist 8.83016 5.48551 5.13415 12.6175 6.18641 9.20228 numMergedOcc 0
29 mol 189 unq 0 iso 0 dist 8.51507 8.08721 9.71306 14.8071 11.7613 9.58744 numMergedOcc 0
30 mol 198 unq 0 iso 0 dist 8.35833 10.1086 7.83611 13.799 11.3233 5.80867 numMergedOcc 0
31 mol 211 unq 0 iso 0 dist 8.63677 4.98164 5.02094 13.8324 11.3877 9.82765 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 7.7874 14.8232 9.66533 18.1773 11.3575 9.01896 numMergedOcc 0
