0 mol 83 unq 0 iso 0 dist 9.56049 6.21251 9.89759 7.6104 13.8571 12.8269 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 7.2833 9.28786 5.05377 5.87044 5.41363 7.5266 numMergedOcc 0
2 mol 87 unq 1 iso 0 dist 7.2833 9.28786 5.05377 4.58684 6.79748 6.19637 numMergedOcc 0
3 mol 87 unq 2 iso 0 dist 7.2833 9.28786 5.05377 6.90348 11.1253 11.3571 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 6.68154 5.37527 4.93796 9.48297 4.81638 4.94782 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 4.06171 6.24473 6.9006 5.57391 4.95662 4.74328 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 6.16537 9.0807 8.3456 7.68908 7.36959 8.96379 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 6.16537 9.0807 8.3456 7.95587 4.50663 10.0988 numMergedOcc 0
8 mol 103 unq 2 iso 0 dist 9.77978 9.0807 4.32749 7.68908 6.38538 8.96379 numMergedOcc 0
9 mol 103 unq 3 iso 0 dist 9.77978 9.0807 4.32749 7.95587 9.10567 10.0988 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.74464 6.30762 12.8661 8.98949 11.4305 10.1774 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.75007 4.84604 8.58899 6.29879 5.9683 5.35551 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 7.36717 9.1144 9.3951 9.9195 5.05782 9.33166 numMergedOcc 0
13 mol 199 unq 0 iso 0 dist 9.98782 7.91016 4.68451 9.124 10.5151 10.6184 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.8495 9.10711 6.72047 8.96503 11.1756 14.538 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.8495 8.94211 4.02883 8.96503 11.1756 12.6987 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 8.00688 9.10711 8.92874 8.96503 6.67537 14.538 numMergedOcc 0
17 mol 205 unq 3 iso 0 dist 8.00688 8.94211 8.28418 8.96503 6.67537 12.6987 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.79839 4.58449 5.13031 9.9479 15.0261 10.3793 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 6.79839 7.03223 9.39591 9.9479 15.0261 9.51851 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 6.54042 6.93858 5.14305 9.82101 4.31761 9.19013 numMergedOcc 0
21 mol 237 unq 0 iso 0 dist 9.66939 8.81333 4.68717 6.73849 8.55405 6.51143 numMergedOcc 0
22 mol 237 unq 1 iso 0 dist 9.66939 8.81333 4.68717 9.43875 16.3432 16.3422 numMergedOcc 0
