0 mol 68 unq 0 iso 0 dist 5.9651 8.44761 10.0743 6.09085 7.50975 5.75753 11.023 10.4695 10.1926 5.64092 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 5.9651 8.44761 10.0743 6.09085 7.50975 5.75753 8.24064 13.7382 9.87699 8.71074 numMergedOcc 0
2 mol 68 unq 2 iso 0 dist 5.9651 6.81124 6.20057 6.09085 7.50975 5.26311 11.023 10.4695 9.53265 5.64092 numMergedOcc 0
3 mol 68 unq 3 iso 0 dist 5.9651 6.81124 6.20057 6.09085 7.50975 5.26311 8.24064 13.7382 11.7033 8.71074 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 8.29727 9.71247 10.2679 7.21134 11.6801 5.1678 16.036 19.8756 10.9816 9.08745 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 8.29727 4.95459 4.97969 7.21134 11.6801 11.1059 16.036 19.8756 19.9773 9.08745 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 6.77833 6.13606 4.36555 8.63204 12.7012 8.92835 5.00416 11.5684 10.008 7.99194 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 6.77833 6.13606 4.36555 5.4014 8.20805 5.07553 5.00416 11.5684 10.008 7.80313 numMergedOcc 0
8 mol 70 unq 2 iso 0 dist 9.83265 8.42287 4.36555 9.19079 12.7012 8.92835 4.00828 11.5684 10.008 7.99194 numMergedOcc 0
9 mol 70 unq 3 iso 0 dist 9.83265 8.42287 4.36555 8.37742 8.20805 5.07553 4.00828 11.5684 10.008 7.80313 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 7.90775 8.4204 13.3662 8.57607 4.99174 15.7954 6.56529 7.51733 13.7457 4.3439 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 7.90775 8.4204 13.3662 6.1991 4.46005 10.4348 6.56529 7.51733 13.7457 6.05855 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 8.49531 8.4204 6.71199 8.57607 16.6518 15.7954 6.56529 15.0497 13.7457 4.3439 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 8.49531 8.4204 6.71199 6.1991 13.1525 10.4348 6.56529 15.0497 13.7457 6.05855 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 6.44195 8.85675 10.0639 8.59532 4.55687 14.2356 11.1637 10.7623 19.3526 7.47401 numMergedOcc 0
15 mol 154 unq 1 iso 0 dist 7.34207 8.85675 5.27847 8.59532 13.5599 14.2356 11.1637 17.2262 19.3526 7.47401 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 6.28961 8.59976 10.3792 8.89822 5.7891 7.33583 12.9917 9.37946 9.57683 4.11374 numMergedOcc 0
17 mol 169 unq 1 iso 0 dist 6.28961 8.59976 10.3792 8.89822 5.7891 7.33583 12.2955 9.13646 14.2018 8.37602 numMergedOcc 0
18 mol 169 unq 2 iso 0 dist 6.28961 9.71763 8.6888 8.89822 5.7891 3.95773 12.9917 9.37946 5.41121 4.11374 numMergedOcc 0
19 mol 169 unq 3 iso 0 dist 6.28961 9.71763 8.6888 8.89822 5.7891 3.95773 12.2955 9.13646 11.7722 8.37602 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.52413 8.34668 15.1778 8.9388 15.4336 4.03697 9.09753 11.8448 12.0142 9.17458 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 9.52413 8.34668 15.1778 8.9388 15.4336 4.03697 6.7472 10.0218 9.5207 7.36794 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 9.52413 8.76308 8.14815 8.9388 15.4336 14.8715 9.09753 11.8448 15.9413 9.17458 numMergedOcc 0
23 mol 186 unq 3 iso 0 dist 9.52413 8.76308 8.14815 8.9388 15.4336 14.8715 6.7472 10.0218 13.1354 7.36794 numMergedOcc 0
24 mol 186 unq 4 iso 0 dist 6.0639 6.0685 7.94756 8.95209 11.6282 3.87082 4.59453 9.65093 8.2241 9.4366 numMergedOcc 0
25 mol 186 unq 5 iso 0 dist 6.91355 6.0685 7.02735 8.95209 10.5033 3.87082 4.59453 11.3524 8.2241 9.4366 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.25882 6.32542 6.09749 6.32553 3.56269 5.28417 3.30102 8.26637 5.59832 4.97301 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 9.43611 6.90717 7.8472 5.56977 8.48942 3.91276 6.35783 14.8017 9.06389 8.7434 numMergedOcc 0
28 mol 217 unq 0 iso 0 dist 7.58097 5.88992 4.92696 8.28155 13.7271 9.98266 5.14513 11.9577 8.4493 6.19602 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 7.151 6.71956 6.28695 9.22453 11.2997 6.64795 9.7252 12.762 10.2401 5.13533 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 8.53324 6.71956 4.37645 9.22453 4.40029 6.64795 9.7252 7.42932 10.2401 5.13533 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 7.23956 6.71956 7.70529 9.22453 3.97543 6.64795 9.7252 4.9764 10.2401 5.13533 numMergedOcc 0
