0 mol 56 unq 0 iso 0 dist 7.96214 7.0854 6.28472 5.76132 8.74881 6.54926 numMergedOcc 0
1 mol 56 unq 0 iso 1 dist 7.96214 5.76132 8.74881 7.0854 6.28472 6.54926 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.68303 4.55484 8.18002 6.74966 7.07032 8.15249 numMergedOcc 0
3 mol 68 unq 0 iso 1 dist 5.68303 6.74966 7.07032 4.55484 8.18002 8.15249 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.01453 6.96217 7.41608 9.50368 6.36583 4.84196 numMergedOcc 0
5 mol 119 unq 0 iso 1 dist 7.01453 9.50368 6.36583 6.96217 7.41608 4.84196 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.45627 4.25039 7.41608 7.48647 6.36583 4.84196 numMergedOcc 0
7 mol 119 unq 1 iso 1 dist 8.45627 7.48647 6.36583 4.25039 7.41608 4.84196 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 7.78385 11.8686 5.80433 12.0698 6.8285 4.84512 numMergedOcc 0
9 mol 186 unq 0 iso 1 dist 7.78385 12.0698 6.8285 11.8686 5.80433 4.84512 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 7.17789 12.8874 5.80433 12.3457 6.8285 4.84512 numMergedOcc 0
11 mol 186 unq 1 iso 1 dist 7.17789 12.3457 6.8285 12.8874 5.80433 4.84512 numMergedOcc 0
12 mol 228 unq 0 iso 0 dist 8.53297 9.18544 9.84486 13.1757 7.81837 10.4471 numMergedOcc 0
13 mol 228 unq 0 iso 1 dist 8.53297 13.1757 7.81837 9.18544 9.84486 10.4471 numMergedOcc 0
14 mol 228 unq 1 iso 0 dist 9.23333 10.356 9.84486 13.0333 7.81837 10.4471 numMergedOcc 0
15 mol 228 unq 1 iso 1 dist 9.23333 13.0333 7.81837 10.356 9.84486 10.4471 numMergedOcc 0
16 mol 228 unq 2 iso 0 dist 7.24491 6.67895 9.84486 8.00573 7.81837 10.4471 numMergedOcc 0
17 mol 228 unq 2 iso 1 dist 7.24491 8.00573 7.81837 6.67895 9.84486 10.4471 numMergedOcc 0
18 mol 228 unq 3 iso 0 dist 6.02491 5.33031 9.84486 5.55391 7.81837 10.4471 numMergedOcc 0
19 mol 228 unq 3 iso 1 dist 6.02491 5.55391 7.81837 5.33031 9.84486 10.4471 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 7.73969 9.3775 5.77356 4.59056 9.24309 7.88539 numMergedOcc 0
21 mol 236 unq 0 iso 1 dist 7.73969 4.59056 9.24309 9.3775 5.77356 7.88539 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 5.16772 4.91827 7.58405 8.29529 7.26115 5.69506 numMergedOcc 0
23 mol 260 unq 0 iso 1 dist 5.16772 8.29529 7.26115 4.91827 7.58405 5.69506 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 5.96033 8.6202 8.40198 5.64526 9.95761 14.0321 numMergedOcc 0
25 mol 287 unq 0 iso 1 dist 5.96033 5.64526 9.95761 8.6202 8.40198 14.0321 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 5.96033 8.6202 8.40198 5.64526 9.95761 14.0321 numMergedOcc 0
27 mol 288 unq 0 iso 1 dist 5.96033 5.64526 9.95761 8.6202 8.40198 14.0321 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 5.96033 8.6202 8.40198 5.64526 9.95761 14.0321 numMergedOcc 0
29 mol 289 unq 0 iso 1 dist 5.96033 5.64526 9.95761 8.6202 8.40198 14.0321 numMergedOcc 0
