0 mol 9 unq 0 iso 0 dist 8.77074 11.5622 8.29595 11.1449 4.74921 12.9543 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.37544 6.56327 7.43154 14.7907 9.63353 11.3663 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 4.92955 6.40817 7.43154 9.78016 9.63353 11.3663 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 5.9644 11.2919 9.16658 6.42684 4.92457 5.04771 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.53468 9.70734 8.91206 12.7709 8.59337 7.85784 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.53468 9.70734 8.91206 13.1304 7.66942 14.3054 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.53468 5.41551 8.67513 12.7709 8.59337 12.9922 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.53468 5.41551 8.67513 13.1304 7.66942 12.2368 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 5.90954 9.93198 8.91206 7.78675 8.59337 7.85784 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 5.90954 9.93198 8.91206 7.76917 7.66942 14.3054 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 5.90954 5.54987 8.67513 7.78675 8.59337 12.9922 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 5.90954 5.54987 8.67513 7.76917 7.66942 12.2368 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 7.81334 7.08972 4.66377 7.43211 6.97741 5.90148 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 5.69384 6.05149 6.07578 6.08635 8.51933 10.2068 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 6.17362 11.4636 7.50206 3.81254 7.12765 9.52999 numMergedOcc 0
15 mol 128 unq 1 iso 0 dist 6.17362 11.4636 7.50206 6.13996 6.28471 8.12622 numMergedOcc 0
16 mol 128 unq 2 iso 0 dist 6.4416 3.93522 7.50206 7.67031 7.12765 9.52999 numMergedOcc 0
17 mol 128 unq 3 iso 0 dist 6.4416 3.93522 7.50206 4.62046 6.28471 8.12622 numMergedOcc 0
18 mol 128 unq 4 iso 0 dist 6.91935 5.16811 7.50206 4.79627 7.12765 9.52999 numMergedOcc 0
19 mol 128 unq 5 iso 0 dist 6.91935 5.16811 7.50206 4.769 6.28471 8.12622 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 6.92225 5.52015 7.24115 10.5886 8.06621 12.3168 numMergedOcc 0
21 mol 163 unq 0 iso 0 dist 9.3832 17.2409 9.29539 3.65465 7.69757 16.5782 numMergedOcc 0
22 mol 163 unq 1 iso 0 dist 9.3832 14.7097 9.02124 3.65465 7.69757 12.0587 numMergedOcc 0
23 mol 163 unq 2 iso 0 dist 6.0247 8.52732 9.29539 11.458 7.69757 16.5782 numMergedOcc 0
24 mol 163 unq 3 iso 0 dist 6.0247 12.8414 9.02124 11.458 7.69757 12.0587 numMergedOcc 0
25 mol 163 unq 4 iso 0 dist 6.40873 10.0505 9.29539 9.56095 7.69757 16.5782 numMergedOcc 0
26 mol 163 unq 5 iso 0 dist 6.40873 14.9092 9.02124 9.56095 7.69757 12.0587 numMergedOcc 0
27 mol 173 unq 0 iso 0 dist 5.36078 7.46995 4.0037 12.3916 9.02222 8.29493 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 5.31079 6.60799 9.3439 6.66492 5.37154 6.90422 numMergedOcc 0
