0 mol 25 unq 0 iso 0 dist 8.6396 10.0172 7.52933 17.8684 12.2556 9.33067 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.609 3.65941 6.74179 11.2888 9.17153 7.6477 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 9.46247 3.77705 8.3733 11.6965 10.3756 9.83555 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.18305 5.65986 7.4369 10.7883 6.33833 9.79061 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.58841 16.3337 9.85905 22.2318 14.1154 9.73179 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 9.71952 6.69911 8.13108 9.33989 8.73236 6.55112 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 7.28257 3.94216 8.13108 8.57953 8.73236 6.55112 numMergedOcc 0
7 mol 81 unq 0 iso 0 dist 9.08307 3.71228 7.07095 12.8861 6.73736 9.4072 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 5.17585 3.82552 4.22363 5.81553 4.87668 6.6536 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.02717 5.33827 7.69765 5.73946 4.75197 7.84768 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.82404 11.5628 8.77023 10.064 10.9364 8.88752 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 9.84952 9.77747 9.01624 9.76194 10.8374 5.97971 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 9.84952 9.77747 9.01624 13.9186 11.9541 8.72747 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 9.84952 9.77747 9.01624 11.8007 8.672 8.23845 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 7.41378 4.76079 5.05973 5.13534 4.62576 5.97971 numMergedOcc 0
15 mol 181 unq 4 iso 0 dist 7.41378 4.76079 5.05973 9.7657 4.80932 8.72747 numMergedOcc 0
16 mol 181 unq 5 iso 0 dist 7.41378 4.76079 5.05973 9.30889 6.42223 8.23845 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.03995 11.8169 7.2793 12.6396 5.5366 6.84679 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 14.3216 7.17757 7.86042 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.10287 3.50446 8.4844 12.1567 12.3312 8.92597 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 8.10287 3.50446 8.4844 5.47586 7.78052 7.53734 numMergedOcc 0
21 mol 205 unq 2 iso 0 dist 8.10287 3.50446 8.4844 6.60429 13.0749 9.79826 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 7.0843 3.5359 8.75536 10.5441 7.34507 9.65132 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 7.73315 3.5359 7.33709 10.5441 4.79566 9.65132 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 6.9398 3.5359 6.67404 10.5441 4.68974 9.65132 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 7.85877 4.91709 5.56538 4.87053 9.84386 7.99441 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 7.85877 5.96186 7.48954 4.87053 9.84386 6.71817 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 9.83721 14.007 7.81897 14.4981 6.25954 8.00193 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.20416 8.88312 7.20674 17.4759 16.264 9.63325 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 9.20416 12.3704 8.38121 19.4717 11.5813 9.64781 numMergedOcc 0
30 mol 292 unq 2 iso 0 dist 7.53641 10.0594 7.20674 17.9222 16.264 9.63325 numMergedOcc 0
31 mol 292 unq 3 iso 0 dist 7.53641 15.5666 8.38121 17.5609 11.5813 9.64781 numMergedOcc 0
