0 mol 0 unq 0 iso 0 dist 9.6994 6.26831 6.34883 10.3034 10.9812 7.48645 5.24778 11.2072 6.64713 6.0597 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 6.26831 9.19662 10.3034 14.3013 7.48645 5.24778 11.2263 6.64713 6.0597 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 12.8924 14.7292 8.94096 14.1378 14.9611 8.77457 12.7056 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 4.85329 10.2611 9.07858 14.1378 14.9611 8.77457 16.8602 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 5.39241 9.75144 8.62284 4.32034 7.33768 9.69752 5.90981 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 5.39241 9.75144 8.62284 8.52463 7.29868 9.36461 13.719 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 5.39241 12.4274 8.62284 4.32034 12.9284 9.69752 5.90981 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 5.39241 12.4274 8.62284 8.52463 8.60554 9.36461 13.719 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 10.9467 11.5915 5.86571 10.0962 11.8747 6.99108 6.56778 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 5.31367 12.383 8.06525 12.7083 19.2926 9.35942 9.47219 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 8.75408 8.93905 7.27181 8.94259 12.865 8.43028 8.2619 11.9051 6.03352 4.51697 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 6.44653 8.93905 10.5192 8.94259 13.6677 8.43028 8.2619 13.082 6.03352 4.51697 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 4.89973 11.0153 9.39683 7.92788 11.8327 5.44303 10.8622 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 7.12972 6.92648 9.32969 4.89973 11.0153 9.39683 8.23791 9.90168 8.50562 12.6448 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 6.85062 9.29384 9.32969 7.00551 11.0153 9.39683 13.1439 11.8327 5.44303 10.8622 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 6.85062 9.29384 9.32969 7.00551 11.0153 9.39683 13.7237 9.90168 8.50562 12.6448 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 11.1651 15.9448 7.01126 11.8693 17.6416 5.89564 4.30489 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 9.29945 7.35824 12.5754 11.1651 15.9448 7.01126 6.77832 12.6314 5.60528 4.57622 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 9.29945 9.17364 10.0424 11.1651 15.9448 6.58434 6.77832 12.6314 5.5995 4.57622 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 5.4601 10.2276 7.345 5.6044 14.2254 7.11785 9.87435 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.1374 6.51749 13.8722 10.0524 10.7636 9.52987 5.6044 14.2254 7.11785 14.6648 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 5.98885 6.51749 5.93488 5.4601 7.20046 7.345 5.6044 9.72611 7.11785 9.87435 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 5.98885 6.51749 5.93488 10.0524 7.13543 9.52987 5.6044 9.72611 7.11785 14.6648 numMergedOcc 0
23 mol 181 unq 4 iso 0 dist 9.09537 7.20392 5.93488 6.14208 7.20046 7.345 12.9468 9.72611 7.11785 9.87435 numMergedOcc 0
24 mol 181 unq 5 iso 0 dist 9.09537 7.20392 5.93488 5.95965 7.13543 9.52987 12.9468 9.72611 7.11785 14.6648 numMergedOcc 0
25 mol 181 unq 6 iso 0 dist 9.15386 6.51749 7.64267 5.4601 11.968 7.345 5.6044 10.428 7.11785 9.87435 numMergedOcc 0
26 mol 181 unq 7 iso 0 dist 9.15386 6.51749 7.64267 10.0524 11.8099 9.52987 5.6044 10.428 7.11785 14.6648 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 8.66809 9.19704 5.42696 13.0658 9.53629 9.17946 11.8917 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 6.23291 9.19704 5.42696 14.4523 9.53629 9.17946 11.8917 numMergedOcc 0
29 mol 248 unq 0 iso 0 dist 9.56569 6.77954 6.71566 5.59351 13.4601 8.42446 4.30004 7.16525 7.97135 9.5697 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 9.14619 5.26434 6.04016 7.49174 7.47164 9.24121 7.39176 10.7876 8.61563 10.0785 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 8.45658 8.60026 6.04016 5.22253 7.47164 9.24121 12.8544 10.7876 8.61563 10.0785 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 12.3807 21.0973 9.42738 5.24812 13.6942 7.21655 10.6815 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 9.97651 9.64269 4.86504 4.72202 6.16449 7.55161 10.2227 12.0724 9.18635 12.015 numMergedOcc 0
34 mol 272 unq 1 iso 0 dist 8.33638 8.46061 8.7909 8.52877 10.1966 7.55161 6.32008 13.0773 9.18635 12.015 numMergedOcc 0
35 mol 272 unq 2 iso 0 dist 8.46116 8.46061 4.86504 8.52877 6.16449 7.55161 6.32008 12.0724 9.18635 12.015 numMergedOcc 0
