0 mol 15 unq 0 iso 0 dist 5.20237 6.88546 6.10381 12.7322 11.6133 6.03257 15.2388 14.7557 10.1154 6.42748 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 5.20237 6.88546 6.10381 12.7322 11.6133 6.03257 8.9856 5.2784 4.29582 7.48342 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.26685 9.78918 14.8435 10.8117 18.8725 7.25951 6.53817 11.7814 5.67637 9.78331 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 9.26685 6.80314 14.487 10.8117 18.8725 7.92012 6.53817 11.7814 4.03817 9.78331 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 5.78962 6.93893 9.0185 12.671 12.6261 8.66165 12.2123 9.5853 10.1024 5.73743 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.12199 5.74593 7.27534 8.27358 11.4989 5.50508 12.3285 16.5948 9.52327 5.9465 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.12199 5.74593 7.27534 8.27358 11.4989 5.50508 15.1078 18.0453 11.641 6.97962 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 7.12199 5.74593 7.27534 8.27358 11.4989 5.50508 11.2787 13.3439 7.34683 9.95342 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 7.90837 5.74593 9.58876 8.27358 14.5245 5.50508 12.3285 17.4572 9.52327 5.9465 numMergedOcc 0
9 mol 92 unq 4 iso 0 dist 7.90837 5.74593 9.58876 8.27358 14.5245 5.50508 15.1078 20.8095 11.641 6.97962 numMergedOcc 0
10 mol 92 unq 5 iso 0 dist 7.90837 5.74593 9.58876 8.27358 14.5245 5.50508 11.2787 11.5693 7.34683 9.95342 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 8.63522 9.2062 6.69798 13.32 14.4245 8.88394 9.0361 10.2218 4.48396 8.31932 numMergedOcc 0
12 mol 102 unq 1 iso 0 dist 5.43401 9.2062 5.6591 13.32 11.7662 8.88394 9.0361 8.17186 4.48396 8.31932 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 8.34427 7.32407 4.68204 5.9261 9.86237 9.73158 10.482 12.2044 10.7293 6.28565 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 8.34427 6.48695 9.09658 5.9261 9.86237 7.59327 10.482 12.2044 7.29399 6.28565 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 9.47945 6.4751 15.864 6.4423 14.3833 5.25109 6.01711 5.53673 11.5561 9.61462 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 9.47945 5.75085 14.3848 6.4423 14.3833 8.21618 6.01711 5.53673 10.844 9.61462 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 6.82688 8.27761 5.39184 17.7633 13.5442 9.8664 10.8093 4.90814 4.9377 9.05071 numMergedOcc 0
18 mol 271 unq 0 iso 0 dist 8.07242 5.75889 7.0065 6.38496 5.70063 5.92274 8.32351 5.6441 5.53238 8.98576 numMergedOcc 0
19 mol 271 unq 1 iso 0 dist 8.07242 5.75889 7.0065 6.38496 5.70063 5.92274 12.4662 5.0976 9.1619 8.92636 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 7.02503 9.38952 11.9041 5.87081 10.705 6.73712 8.40961 8.10688 6.19336 9.76787 numMergedOcc 0
21 mol 280 unq 1 iso 0 dist 8.57733 7.42529 11.1898 7.98547 13.9796 6.73712 12.1637 12.2846 6.19336 9.76787 numMergedOcc 0
22 mol 280 unq 2 iso 0 dist 9.05509 7.42529 11.0648 7.98547 11.0977 6.73712 12.1637 10.8699 6.19336 9.76787 numMergedOcc 0
