0 mol 28 unq 0 iso 0 dist 9.04621 10.4653 8.24422 12.5323 10.5266 9.05939 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.04621 5.51879 8.99724 12.5323 10.5266 9.38747 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.44081 12.3614 8.24422 16.1571 10.5266 9.05939 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.44081 9.5295 8.99724 16.1571 10.5266 9.38747 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 5.73722 14.2927 9.46895 18.6158 13.7123 7.13608 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 9.23092 7.54957 8.03504 14.6231 9.40104 7.87739 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 9.01405 7.41274 6.86861 14.1334 11.2593 9.1784 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.6969 13.8647 7.14505 9.18318 3.39244 4.7588 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.18318 13.8647 4.7588 8.6969 3.39244 7.14505 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 7.94124 8.18784 7.14505 5.92298 3.39244 4.7588 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 5.92298 8.18784 4.7588 7.94124 3.39244 7.14505 numMergedOcc 0
11 mol 151 unq 0 iso 0 dist 8.7814 4.43408 5.89468 14.1967 8.30648 9.79321 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 5.74837 4.57124 6.3981 12.2472 10.1679 9.68937 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 9.52924 5.86393 8.32987 13.5651 10.6362 8.44321 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 7.58016 5.48857 6.19519 10.5279 12.401 8.24741 numMergedOcc 0
15 mol 226 unq 1 iso 0 dist 7.58016 5.48857 6.19519 10.3226 9.9701 5.07958 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 9.50208 9.85051 7.66323 15.1996 10.6003 9.32781 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 6.84692 7.26324 8.92121 10.9336 7.19561 9.95252 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 8.78619 12.7099 8.98789 13.1651 5.02232 7.449 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 6.75269 10.0056 9.30394 10.5396 6.60063 5.84467 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 6.75269 5.87826 8.5458 10.5396 6.60063 8.56533 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 6.75269 10.0056 9.30394 10.5396 6.60063 5.84467 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 6.75269 5.87826 8.5458 10.5396 6.60063 8.56533 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 6.75269 10.0056 9.30394 10.5396 6.60063 5.84467 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 6.75269 5.87826 8.5458 10.5396 6.60063 8.56533 numMergedOcc 0
