0 mol 30 unq 0 iso 0 dist 8.609 3.65941 6.74179 11.2888 9.17153 7.6477 9.44073 5.34368 6.07517 4.43881 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.18305 5.65986 7.4369 10.7883 6.33833 9.79061 11.0671 5.4148 9.73086 4.78435 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.58841 16.3337 9.85905 22.2318 14.1154 9.73179 17.86 10.2879 6.72869 4.80624 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 5.17585 3.82552 4.22363 5.81553 4.87668 6.6536 10.5503 6.34999 7.7988 10.8268 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 5.17585 3.82552 4.22363 5.81553 4.87668 6.6536 10.5069 6.72751 9.40824 11.179 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 9.84952 9.77747 9.01624 9.76194 10.8374 5.97971 13.0935 11.5866 5.05973 4.62576 numMergedOcc 0
6 mol 181 unq 1 iso 0 dist 9.84952 9.77747 9.01624 13.9186 11.9541 8.72747 13.0935 11.5866 5.05973 4.80932 numMergedOcc 0
7 mol 181 unq 2 iso 0 dist 9.84952 9.77747 9.01624 11.8007 8.672 8.23845 13.0935 11.5866 5.05973 6.42223 numMergedOcc 0
8 mol 181 unq 3 iso 0 dist 7.41378 4.76079 5.05973 5.13534 4.62576 5.97971 10.8641 11.5866 9.01624 10.8374 numMergedOcc 0
9 mol 181 unq 4 iso 0 dist 7.41378 4.76079 5.05973 9.7657 4.80932 8.72747 10.8641 11.5866 9.01624 11.9541 numMergedOcc 0
10 mol 181 unq 5 iso 0 dist 7.41378 4.76079 5.05973 9.30889 6.42223 8.23845 10.8641 11.5866 9.01624 8.672 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 14.3216 7.17757 7.86042 13.2564 5.43601 6.86828 5.75906 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.10287 3.50446 8.4844 12.1567 12.3312 8.92597 8.84602 10.817 7.21137 7.22201 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 8.10287 3.50446 8.4844 5.47586 7.78052 7.53734 8.84602 10.817 7.21137 13.6728 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 8.10287 3.50446 8.4844 6.60429 13.0749 9.79826 8.84602 10.817 7.21137 14.1866 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 7.0843 3.5359 8.75536 10.5441 7.34507 9.65132 7.73315 4.72474 7.33709 4.79566 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 7.0843 3.5359 8.75536 10.5441 7.34507 9.65132 6.9398 6.17651 6.67404 4.68974 numMergedOcc 0
17 mol 218 unq 2 iso 0 dist 7.73315 3.5359 7.33709 10.5441 4.79566 9.65132 7.0843 4.72474 8.75536 7.34507 numMergedOcc 0
18 mol 218 unq 3 iso 0 dist 7.73315 3.5359 7.33709 10.5441 4.79566 9.65132 6.9398 5.61978 6.67404 4.68974 numMergedOcc 0
19 mol 218 unq 4 iso 0 dist 6.9398 3.5359 6.67404 10.5441 4.68974 9.65132 7.0843 6.17651 8.75536 7.34507 numMergedOcc 0
20 mol 218 unq 5 iso 0 dist 6.9398 3.5359 6.67404 10.5441 4.68974 9.65132 7.73315 5.61978 7.33709 4.79566 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 9.83721 14.007 7.81897 14.4981 6.25954 8.00193 15.3011 5.74182 6.34915 4.91688 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 9.20416 12.3704 8.38121 19.4717 11.5813 9.64781 18.2037 11.8061 9.90967 5.08702 numMergedOcc 0
23 mol 292 unq 1 iso 0 dist 7.53641 15.5666 8.38121 17.5609 11.5813 9.64781 16.8329 11.8061 9.90967 5.08702 numMergedOcc 0
