0 mol 20 unq 0 iso 0 dist 6.29581 3.78339 7.51452 14.4254 9.07213 16.3456 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.29581 14.473 9.20198 14.4254 9.07213 4.18921 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 5.21143 6.18887 7.51452 13.6328 9.07213 16.3456 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 5.21143 12.502 9.20198 13.6328 9.07213 4.18921 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.69142 7.89671 6.46104 4.18634 6.07276 5.56139 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 8.69142 11.9181 7.36856 4.18634 6.07276 7.73394 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 8.43523 14.4644 6.46104 12.7209 6.07276 5.56139 numMergedOcc 0
7 mol 26 unq 3 iso 0 dist 8.43523 10.4441 7.36856 12.7209 6.07276 7.73394 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 5.20528 9.53239 9.82915 4.78636 5.05893 11.9064 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 5.20528 9.53239 9.82915 7.24335 5.71866 14.7521 numMergedOcc 0
10 mol 96 unq 0 iso 0 dist 5.19438 7.66327 8.39111 5.30464 9.13187 8.75437 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 8.49444 12.9469 8.8822 9.55465 9.30645 13.9729 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.85849 9.30817 7.69991 15.9796 9.0176 12.847 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.85849 10.879 6.23142 15.9796 9.0176 8.06642 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 7.85849 16.7911 9.94764 15.9796 9.0176 4.00092 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 6.08299 6.16353 7.69991 11.6261 9.0176 12.847 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 6.08299 7.07625 6.23142 11.6261 9.0176 8.06642 numMergedOcc 0
17 mol 134 unq 5 iso 0 dist 6.08299 10.4858 9.94764 11.6261 9.0176 4.00092 numMergedOcc 0
18 mol 135 unq 0 iso 0 dist 5.95344 5.52034 5.62052 11.4432 7.28318 8.50814 numMergedOcc 0
19 mol 135 unq 1 iso 0 dist 5.95344 9.8859 7.85645 11.4432 7.28318 3.95636 numMergedOcc 0
20 mol 135 unq 2 iso 0 dist 7.8687 9.8231 5.62052 11.8717 7.28318 8.50814 numMergedOcc 0
21 mol 135 unq 3 iso 0 dist 7.8687 10.955 7.85645 11.8717 7.28318 3.95636 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.01017 10.5409 6.46704 6.22666 9.06571 6.28125 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 9.01017 10.5409 6.46704 5.43915 7.35884 6.50233 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 9.54437 8.70038 6.46704 12.0937 9.06571 6.28125 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 9.54437 8.70038 6.46704 9.71832 7.35884 6.50233 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 6.71675 4.59843 6.42735 8.04827 7.81263 4.08775 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 6.19189 6.13422 7.76163 12.9635 9.99396 14.106 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 6.19189 9.40374 8.73217 12.9635 9.99396 10.8286 numMergedOcc 0
29 mol 186 unq 2 iso 0 dist 8.34668 10.2733 7.76163 4.68208 9.99396 14.106 numMergedOcc 0
30 mol 186 unq 3 iso 0 dist 8.34668 12.4751 8.73217 4.68208 9.99396 10.8286 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 6.67938 5.96888 7.32294 9.16346 9.48625 5.57347 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 6.74022 10.7073 8.52587 11.3961 8.60027 16.9539 numMergedOcc 0
33 mol 274 unq 1 iso 0 dist 6.74022 6.45522 6.39866 11.3961 8.60027 8.87855 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 5.02385 6.07975 7.23721 5.4988 9.42255 10.7629 numMergedOcc 0
