0 mol 42 unq 0 iso 0 dist 9.50568 10.2834 5.52834 6.56884 6.51963 6.79455 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.50028 5.19187 7.45777 10.0576 8.49022 7.17416 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 9.99609 12.809 9.90256 5.75754 9.53368 7.62644 numMergedOcc 0
3 mol 87 unq 1 iso 0 dist 9.99609 12.809 9.90256 7.55769 6.54532 10.8096 numMergedOcc 0
4 mol 87 unq 2 iso 0 dist 9.99609 8.37496 7.57471 5.75754 9.53368 5.5768 numMergedOcc 0
5 mol 87 unq 3 iso 0 dist 9.99609 8.37496 7.57471 7.55769 6.54532 4.56692 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 7.7367 5.73517 6.61973 4.98814 9.49798 10.3223 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 7.7367 5.73517 6.61973 9.53721 8.31955 12.8624 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 6.29879 6.92975 5.79195 7.11305 8.03691 7.50288 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 6.29879 6.53637 9.2759 7.11305 8.03691 8.01541 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 6.29879 11.1722 8.76088 7.11305 8.03691 5.31306 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 7.21606 13.2658 9.40718 5.54495 9.23089 10.602 numMergedOcc 0
12 mol 188 unq 0 iso 0 dist 7.82113 4.07548 8.1907 7.47532 6.02957 9.12244 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.52692 4.89826 6.62514 9.46143 6.35305 10.239 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 7.52692 5.5367 6.20044 9.46143 6.35305 5.64245 numMergedOcc 0
15 mol 204 unq 2 iso 0 dist 7.52692 9.88124 9.41996 9.46143 6.35305 8.90839 numMergedOcc 0
16 mol 204 unq 3 iso 0 dist 9.7707 11.9869 6.62514 4.49931 6.35305 10.239 numMergedOcc 0
17 mol 204 unq 4 iso 0 dist 9.7707 9.42629 6.20044 4.49931 6.35305 5.64245 numMergedOcc 0
18 mol 204 unq 5 iso 0 dist 9.7707 7.50076 9.41996 4.49931 6.35305 8.90839 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 6.55222 13.0572 8.86185 11.2016 6.98781 7.57139 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 7.32876 9.77666 8.57274 6.97274 9.77741 4.92263 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 9.32251 14.2481 9.86267 9.62816 9.60653 5.92281 numMergedOcc 0
