0 mol 11 unq 0 iso 0 dist 6.84216 10.7734 9.81983 4.10106 9.89425 9.74251 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.02753 5.32758 5.59658 7.76823 8.11835 3.84273 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.98005 10.797 9.82851 7.11305 8.97754 5.29055 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 7.98005 10.9837 9.11311 7.11305 8.97754 4.76998 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.23438 10.2049 6.41008 13.5805 9.10675 5.45005 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 7.17488 5.49591 6.41008 10.0669 9.10675 5.45005 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 6.79356 5.85698 6.41008 4.00553 9.10675 5.45005 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 5.25027 7.23157 6.2576 5.80367 7.92114 4.03842 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 5.25027 7.23157 6.2576 10.1442 8.18375 3.81317 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 5.25027 12.5946 8.96069 5.80367 7.92114 10.6312 numMergedOcc 0
10 mol 79 unq 3 iso 0 dist 5.25027 12.5946 8.96069 10.1442 8.18375 4.08868 numMergedOcc 0
11 mol 79 unq 4 iso 0 dist 5.25027 9.69296 7.56495 5.80367 7.92114 9.78235 numMergedOcc 0
12 mol 79 unq 5 iso 0 dist 5.25027 9.69296 7.56495 10.1442 8.18375 6.06691 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.69926 10.6804 9.13593 6.92455 4.29937 10.797 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.69926 10.6804 9.13593 7.01366 3.65628 7.04693 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 7.69926 10.6804 9.13593 14.8822 9.77774 6.7475 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 5.85237 10.6804 8.25144 6.92455 5.37869 10.797 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 5.85237 10.6804 8.25144 7.01366 4.05415 7.04693 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 5.85237 10.6804 8.25144 14.8822 9.97944 6.7475 numMergedOcc 0
19 mol 85 unq 6 iso 0 dist 9.11768 6.85929 8.25144 8.32224 5.37869 10.797 numMergedOcc 0
20 mol 85 unq 7 iso 0 dist 9.11768 6.85929 8.25144 6.15019 4.05415 7.04693 numMergedOcc 0
21 mol 85 unq 8 iso 0 dist 9.11768 6.85929 8.25144 12.6518 9.97944 6.7475 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 9.59585 8.42718 5.35711 5.70579 4.30875 3.84573 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 4.80684 5.92984 6.21165 6.30721 4.55071 10.3622 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 7.60162 7.45148 6.21165 10.5082 4.55071 10.3622 numMergedOcc 0
25 mol 123 unq 0 iso 0 dist 8.111 14.0935 7.30244 4.1335 4.14492 10.9073 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 6.09063 5.18913 5.13405 5.76063 6.76852 4.07076 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 6.09063 5.18913 5.13405 4.63567 4.94473 6.32315 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 8.64905 10.4028 7.2932 7.39837 6.60366 4.06908 numMergedOcc 0
29 mol 168 unq 0 iso 0 dist 7.48734 11.7533 6.12453 4.67135 7.0961 12.6805 numMergedOcc 0
30 mol 168 unq 1 iso 0 dist 7.48734 11.7533 6.12453 13.2594 8.21227 4.02702 numMergedOcc 0
31 mol 168 unq 2 iso 0 dist 7.48734 11.7533 6.12453 11.6594 6.53038 7.61798 numMergedOcc 0
32 mol 168 unq 3 iso 0 dist 5.6125 7.32989 6.12453 9.87321 7.0961 12.6805 numMergedOcc 0
33 mol 168 unq 4 iso 0 dist 5.6125 7.32989 6.12453 10.7557 8.21227 4.02702 numMergedOcc 0
34 mol 168 unq 5 iso 0 dist 5.6125 7.32989 6.12453 5.16335 6.53038 7.61798 numMergedOcc 0
35 mol 169 unq 0 iso 0 dist 9.37946 8.6888 5.41121 5.7891 4.11374 3.95773 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 5.90765 8.98536 9.31569 3.90244 8.92135 10.6999 numMergedOcc 0
37 mol 186 unq 1 iso 0 dist 5.90765 7.30024 8.72743 3.90244 8.92135 6.18065 numMergedOcc 0
38 mol 186 unq 2 iso 0 dist 9.65093 7.94756 8.2241 11.6282 9.4366 3.87082 numMergedOcc 0
39 mol 256 unq 0 iso 0 dist 4.80903 5.28793 4.36333 6.30188 7.32564 4.10994 numMergedOcc 0
40 mol 256 unq 1 iso 0 dist 4.80903 4.99672 6.96483 6.30188 7.32564 3.90666 numMergedOcc 0
