0 mol 19 unq 0 iso 0 dist 8.82056 4.07239 6.00439 12.1814 4.42145 9.85134 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.82056 4.07239 6.00439 9.4457 6.42867 5.82366 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 8.38921 6.86154 6.08338 10.5369 10.6971 6.93185 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.13476 6.2425 5.02241 6.54052 4.29856 6.30987 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.04163 11.4785 5.64598 13.5801 8.44406 7.10439 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.88953 12.0993 5.64598 16.9935 8.44406 7.10439 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.63534 6.55474 8.19682 9.2958 6.45686 7.03226 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.51543 8.36307 6.21982 11.2779 4.85247 7.03226 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 4.75701 8.43244 8.39016 11.4017 9.60325 9.56752 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 9.89618 12.4268 8.39016 10.6506 9.60325 9.56752 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.11612 5.39389 7.76729 12.9167 14.0688 7.70313 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 5.22628 5.26498 7.64585 9.19273 6.40494 7.52142 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.94909 11.1266 7.92688 12.3907 5.92062 6.51868 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.94909 11.1266 7.92688 14.2267 6.61891 7.34698 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.75736 9.88404 8.94837 15.5174 14.2198 6.93279 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 6.76166 6.15672 8.94837 12.8792 14.2198 6.93279 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 6.32178 9.88404 7.77454 15.5174 11.147 6.93279 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 7.2977 6.15672 7.77454 12.8792 11.147 6.93279 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 9.25604 5.5355 6.88137 11.8537 6.14767 7.30946 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 9.09857 9.00192 8.31897 13.1046 10.8609 8.41245 numMergedOcc 0
20 mol 173 unq 1 iso 0 dist 9.09857 9.00192 8.31897 6.07708 5.70743 6.64779 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.15963 9.09192 6.94688 12.8705 6.6251 9.06217 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 7.15963 12.1848 6.71012 12.8705 6.6251 7.13252 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 6.43406 4.56814 4.93785 9.0234 7.77758 7.05653 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 6.44896 6.15396 8.36822 11.3948 8.49529 7.33225 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 8.9413 6.40261 9.5707 12.7701 10.0059 7.43663 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 4.91961 12.2893 9.5707 9.33455 10.0059 7.43663 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 7.14333 10.3017 9.39181 9.33455 5.08515 7.94068 numMergedOcc 0
28 mol 234 unq 3 iso 0 dist 7.14333 10.3017 9.39181 16.0559 12.6661 7.22019 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 8.84872 13.4086 9.58736 20.4752 15.6327 7.31773 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 8.79626 12.9417 7.32211 14.0786 6.46722 7.31773 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 6.51823 9.28896 6.77463 6.62283 10.4017 8.90076 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 6.51823 9.28896 6.77463 8.60978 7.95232 6.62002 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 6.51823 6.04481 7.2766 6.62283 10.4017 8.09718 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 6.51823 6.04481 7.2766 8.60978 7.95232 6.73446 numMergedOcc 0
35 mol 241 unq 0 iso 0 dist 6.97756 8.28913 6.83797 9.36895 4.90279 8.00537 numMergedOcc 0
36 mol 253 unq 0 iso 0 dist 9.86979 10.094 7.19465 15.5271 5.78064 9.58354 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 6.20344 12.9748 7.48005 10.7258 8.81835 8.71497 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 8.69345 13.2072 7.50578 18.4046 14.3125 8.92185 numMergedOcc 0
39 mol 282 unq 0 iso 0 dist 7.12228 7.00729 7.32347 9.88071 6.6348 6.8972 numMergedOcc 0
40 mol 284 unq 0 iso 0 dist 9.12551 10.7029 4.86729 13.1896 4.50325 6.61376 numMergedOcc 0
