0 mol 24 unq 0 iso 0 dist 7.40392 10.9024 9.54519 8.23069 5.54419 13.2653 12.0896 6.7846 8.6586 8.23075 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.40392 10.9024 9.54519 8.59466 7.36323 5.80023 12.0896 6.7846 8.6586 10.551 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 12.3158 5.08437 4.75138 16.7704 13.6536 9.68556 14.3025 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 9.83528 13.0144 5.9747 15.1765 6.48948 10.4417 16.7704 13.6536 9.68556 17.4636 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 9.83528 13.0144 5.9747 8.06684 6.10456 11.3628 16.7704 13.6536 9.68556 18.9347 numMergedOcc 0
5 mol 98 unq 3 iso 0 dist 7.54969 12.9828 5.9747 11.7493 5.08437 4.75138 18.2105 13.6536 9.68556 14.3025 numMergedOcc 0
6 mol 98 unq 4 iso 0 dist 7.54969 12.9828 5.9747 10.3366 6.48948 10.4417 18.2105 13.6536 9.68556 17.4636 numMergedOcc 0
7 mol 98 unq 5 iso 0 dist 7.54969 12.9828 5.9747 5.15322 6.10456 11.3628 18.2105 13.6536 9.68556 18.9347 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 5.06555 8.75149 7.04864 7.75534 8.75408 4.5543 8.34958 3.35803 8.03124 10.8176 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 5.06555 8.75149 7.04864 5.61914 6.44653 6.81949 8.34958 3.35803 8.03124 8.38358 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.94179 11.088 9.3894 6.75154 6.5107 4.84607 11.7708 6.12885 4.82356 5.78814 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.94179 11.088 9.3894 6.70853 9.52634 13.0836 11.7708 6.12885 4.82356 11.6108 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 8.66715 13.3005 9.50322 14.0905 7.11802 5.37072 13.1409 10.3893 8.52036 10.3827 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 9.00172 13.3005 5.82404 13.2145 6.29155 10.2385 13.1409 11.323 8.52036 17.3734 numMergedOcc 0
14 mol 133 unq 4 iso 0 dist 9.00172 13.3005 5.82404 15.719 6.80239 4.64588 13.1409 11.323 8.52036 13.0458 numMergedOcc 0
15 mol 133 unq 5 iso 0 dist 9.00172 13.3005 5.82404 14.0905 8.00618 5.37072 13.1409 11.323 8.52036 10.3827 numMergedOcc 0
16 mol 133 unq 6 iso 0 dist 8.95433 15.4773 9.50322 11.0811 7.11802 5.37072 18.8125 10.3893 8.52036 10.3827 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 9.79271 9.31621 9.99314 4.07683 9.62191 6.70722 12.085 10.3492 6.10505 11.2788 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 6.45574 9.7911 8.48065 6.70342 5.4638 5.23741 8.28824 4.75609 8.1174 8.08965 numMergedOcc 0
19 mol 235 unq 1 iso 0 dist 8.14407 10.656 8.48065 6.01036 5.4638 5.23741 11.7046 4.75609 8.1174 8.08965 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.82778 12.0443 6.44212 11.4665 6.16342 7.97883 9.0495 4.61469 5.17335 9.68695 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 8.23536 9.23513 9.10633 5.50714 7.4631 7.20238 10.1317 4.07839 8.49869 10.0267 numMergedOcc 0
22 mol 241 unq 1 iso 0 dist 6.90245 3.92006 9.10633 5.3674 7.4631 7.20238 7.65636 4.07839 8.49869 10.0267 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 8.49415 8.73438 9.772 4.05162 8.4218 5.75478 5.44039 7.71667 5.8898 5.7944 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.23956 12.7088 9.29635 15.6875 9.7748 10.8075 13.087 7.75371 5.11998 5.69112 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 7.23956 12.7088 9.29635 15.6875 9.7748 10.8075 15.8468 11.3546 5.79925 7.2091 numMergedOcc 0
