0 mol 0 unq 0 iso 0 dist 8.24206 6.19218 9.98828 5.25456 7.37981 7.19621 9.56842 7.30381 11.9766 5.24778 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 9.08872 9.74371 6.23988 9.97525 9.58976 6.35342 5.30739 9.9859 9.57674 12.4493 numMergedOcc 0
2 mol 2 unq 1 iso 0 dist 9.08872 9.74371 6.23988 3.9935 9.57645 12.3504 5.30739 9.9859 9.57674 7.11137 numMergedOcc 0
3 mol 2 unq 2 iso 0 dist 9.74371 9.08872 6.23988 9.97525 6.35342 9.58976 5.30739 9.57674 9.9859 12.4493 numMergedOcc 0
4 mol 2 unq 3 iso 0 dist 7.37296 6.15195 6.80804 11.2776 9.58976 15.0494 15.0954 9.9859 15.2218 12.4493 numMergedOcc 0
5 mol 2 unq 4 iso 0 dist 7.37296 6.15195 6.80804 11.0228 9.57645 12.1029 15.0954 9.9859 15.2218 7.11137 numMergedOcc 0
6 mol 7 unq 0 iso 0 dist 9.32945 8.0166 5.63739 17.302 9.85726 13.148 11.8191 8.94586 5.27578 16.4469 numMergedOcc 0
7 mol 7 unq 1 iso 0 dist 9.32945 9.90117 5.38328 17.302 9.85726 10.8678 11.8191 8.94586 13.9391 16.4469 numMergedOcc 0
8 mol 38 unq 0 iso 0 dist 5.86972 7.55357 9.56267 7.46414 9.23576 12.6659 5.60016 9.18985 11.5789 11.3707 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 8.30431 4.628 8.0979 6.32949 9.62468 5.92705 10.8154 9.32664 10.5121 15.5028 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.60363 5.39171 5.05066 10.8067 9.72442 11.7436 15.52 9.53327 14.2184 10.1488 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.60363 5.39171 5.05066 16.3515 9.02288 11.1478 15.52 9.53327 14.2184 14.6243 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.60363 9.27355 4.4628 10.8067 9.72442 9.68526 15.52 9.53327 12.4862 10.1488 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 8.60363 9.27355 4.4628 16.3515 9.02288 9.75201 15.52 9.53327 12.4862 14.6243 numMergedOcc 0
14 mol 108 unq 0 iso 0 dist 9.32474 8.80334 6.45014 5.60268 7.29462 5.4057 9.54469 6.80069 12.2332 10.1805 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 7.50126 5.12189 11.0817 15.9524 8.84018 18.3258 6.52556 8.70392 11.4437 17.168 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 6.21546 8.6609 6.77498 5.73338 8.69888 10.7272 10.3139 9.27911 12.4201 15.6247 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 6.21546 8.6609 6.77498 5.73338 8.69888 10.7272 7.04147 8.57607 10.7245 12.7456 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 6.21546 6.03184 7.01839 5.73338 8.69888 5.08206 10.3139 9.27911 13.2069 15.6247 numMergedOcc 0
19 mol 175 unq 3 iso 0 dist 6.21546 6.03184 7.01839 5.73338 8.69888 5.08206 7.04147 8.57607 11.4305 12.7456 numMergedOcc 0
20 mol 199 unq 0 iso 0 dist 9.88917 9.56785 10.3162 11.2655 8.68505 12.7467 8.14324 9.43695 8.32753 5.63124 numMergedOcc 0
21 mol 199 unq 1 iso 0 dist 9.56785 9.88917 10.3162 5.60906 9.60407 12.6059 8.14324 8.32753 9.43695 5.59178 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 8.63033 8.02214 7.07077 12.1408 9.72979 15.8867 4.77368 6.69623 6.21951 11.7977 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 8.63033 8.02214 7.07077 9.19627 6.97859 12.2199 4.77368 6.69623 6.21951 10.4747 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 6.24111 8.60412 9.07869 13.3929 9.67457 9.90494 6.15611 8.87054 14.1377 18.0887 numMergedOcc 0
25 mol 210 unq 1 iso 0 dist 9.00343 7.05535 9.07869 12.3088 9.67457 9.90494 10.7435 8.87054 14.1377 18.0887 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 6.6537 9.08719 11.6002 4.55824 9.75313 6.08709 6.66792 6.48885 15.2008 10.7174 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.07452 7.21004 10.3541 6.11218 7.80446 9.91395 16.1753 8.30714 14.6318 13.0115 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 9.07452 7.21004 10.3541 11.3921 9.86142 13.506 16.1753 8.30714 14.6318 11.5044 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 6.44266 8.75703 10.3541 6.98398 7.80446 9.91395 7.28382 8.30714 14.6318 13.0115 numMergedOcc 0
30 mol 274 unq 3 iso 0 dist 6.44266 8.75703 10.3541 6.99898 9.86142 13.506 7.28382 8.30714 14.6318 11.5044 numMergedOcc 0
31 mol 285 unq 0 iso 0 dist 4.74716 8.63954 6.55738 5.93692 8.71213 13.8061 6.15563 8.7964 11.2232 10.4903 numMergedOcc 0
32 mol 285 unq 1 iso 0 dist 4.74716 8.63954 6.55738 5.93692 8.71213 13.8061 5.52409 7.24072 6.29045 11.2696 numMergedOcc 0
