0 mol 0 unq 0 iso 0 dist 9.19007 9.67081 16.5238 7.02374 7.92928 16.6667 6.0225 6.94943 14.6538 4.22598 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.88043 7.78327 10.6558 12.2708 9.55056 18.6994 12.8323 8.15894 17.9276 4.40641 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.88043 7.78327 10.6558 6.06176 7.45262 13.2302 12.8323 8.15894 17.9276 7.92429 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.80762 7.78327 13.5227 12.2708 7.57354 18.6994 12.8323 8.45544 17.9276 4.40641 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 8.80762 7.78327 13.5227 6.06176 6.96586 13.2302 12.8323 8.45544 17.9276 7.92429 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 6.43433 6.87434 4.25001 6.72991 7.82011 9.81737 10.5563 5.43933 9.24706 8.36589 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 6.43433 6.87434 4.25001 6.72991 7.82011 9.81737 6.95317 4.99604 5.92828 4.89178 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 6.43433 6.87434 4.25001 6.72991 7.82011 9.81737 13.5094 9.97483 14.0864 10.119 numMergedOcc 0
8 mol 112 unq 3 iso 0 dist 6.43433 6.87434 4.25001 6.72991 7.82011 9.81737 6.75738 7.44041 10.3476 9.69404 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.29384 8.80895 9.6795 7.00551 9.39683 13.4742 12.6005 6.78801 14.4726 8.34485 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 7.25673 8.99891 12.6218 6.01455 7.88655 14.9694 4.78563 8.612 12.5751 4.38322 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 5.08802 5.1101 10.4624 12.068 9.43989 16.7208 11.4653 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 5.49226 8.39897 7.88487 10.1972 7.01133 14.5864 12.068 9.43989 16.7208 7.68412 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 4.92088 4.72821 8.56547 5.25267 5.98771 9.8525 6.42973 8.25282 9.15383 5.88866 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 15.9311 9.77862 12.7281 10.0756 5.53324 4.45769 8.31541 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 6.26839 9.52922 7.82899 15.9311 9.77862 12.7281 11.8031 6.72182 12.9621 6.72001 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 6.60567 6.59544 11.5264 13.6975 9.79691 19.9724 5.41635 6.34234 10.4086 10.5776 numMergedOcc 0
17 mol 195 unq 1 iso 0 dist 6.60567 6.59544 11.5264 13.6975 9.79691 19.9724 11.9954 7.87972 18.2938 4.18074 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 8.10985 6.77156 13.3432 12.2117 8.15936 18.8988 9.76488 8.8864 16.5069 4.12366 numMergedOcc 0
19 mol 198 unq 1 iso 0 dist 8.10985 6.77156 13.3432 12.2117 8.15936 18.8988 6.0599 8.12201 12.3339 8.27289 numMergedOcc 0
20 mol 198 unq 2 iso 0 dist 8.10985 6.77156 13.3432 12.2117 8.15936 18.8988 6.05382 5.45162 12.4328 7.09645 numMergedOcc 0
21 mol 198 unq 3 iso 0 dist 8.10985 6.77156 13.3432 10.8191 8.16598 17.1548 9.76488 8.8864 16.5069 5.7714 numMergedOcc 0
22 mol 198 unq 4 iso 0 dist 8.10985 6.77156 13.3432 10.8191 8.16598 17.1548 6.0599 8.12201 12.3339 5.50315 numMergedOcc 0
23 mol 198 unq 5 iso 0 dist 8.10985 6.77156 13.3432 10.8191 8.16598 17.1548 6.05382 5.45162 12.4328 8.18633 numMergedOcc 0
24 mol 198 unq 6 iso 0 dist 8.10985 7.97894 12.4245 12.2117 8.15936 18.47 9.76488 8.8864 16.8247 4.12366 numMergedOcc 0
25 mol 198 unq 7 iso 0 dist 8.10985 7.97894 12.4245 12.2117 8.15936 18.47 6.0599 8.12201 11.6674 8.27289 numMergedOcc 0
26 mol 198 unq 8 iso 0 dist 8.10985 7.97894 12.4245 12.2117 8.15936 18.47 6.05382 5.45162 13.3333 7.09645 numMergedOcc 0
27 mol 198 unq 9 iso 0 dist 8.10985 7.97894 12.4245 10.8191 8.16598 15.5539 9.76488 8.8864 16.8247 5.7714 numMergedOcc 0
28 mol 198 unq 10 iso 0 dist 8.10985 7.97894 12.4245 10.8191 8.16598 15.5539 6.0599 8.12201 11.6674 5.50315 numMergedOcc 0
29 mol 198 unq 11 iso 0 dist 8.10985 7.97894 12.4245 10.8191 8.16598 15.5539 6.05382 5.45162 13.3333 8.18633 numMergedOcc 0
30 mol 198 unq 12 iso 0 dist 8.10985 8.08471 5.45278 12.2117 8.15936 13.4578 9.76488 8.8864 13.4892 4.12366 numMergedOcc 0
31 mol 198 unq 13 iso 0 dist 8.10985 8.08471 5.45278 12.2117 8.15936 13.4578 6.0599 8.12201 10.6821 8.27289 numMergedOcc 0
32 mol 198 unq 14 iso 0 dist 8.10985 8.08471 5.45278 12.2117 8.15936 13.4578 6.05382 5.45162 9.18405 7.09645 numMergedOcc 0
33 mol 198 unq 15 iso 0 dist 8.10985 8.08471 5.45278 10.8191 8.16598 12.2324 9.76488 8.8864 13.4892 5.7714 numMergedOcc 0
34 mol 198 unq 16 iso 0 dist 8.10985 8.08471 5.45278 10.8191 8.16598 12.2324 6.0599 8.12201 10.6821 5.50315 numMergedOcc 0
35 mol 198 unq 17 iso 0 dist 8.10985 8.08471 5.45278 10.8191 8.16598 12.2324 6.05382 5.45162 9.18405 8.18633 numMergedOcc 0
