0 mol 15 unq 0 iso 0 dist 5.20237 6.88546 6.10381 12.7322 11.6133 6.03257 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.26685 9.78918 14.8435 10.8117 18.8725 7.25951 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.26685 6.80314 14.487 10.8117 18.8725 7.92012 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.04551 6.8073 6.62574 13.8841 14.5465 8.29857 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.36915 6.42242 13.1229 13.5334 19.4916 8.19993 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 6.01454 6.42242 6.98858 13.5334 14.5966 8.19993 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 6.31161 6.8073 12.2137 13.8841 18.2743 8.29857 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 9.54864 8.04272 5.86954 11.6385 14.3526 8.97364 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 5.78962 6.93893 9.0185 12.671 12.6261 8.66165 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.12199 5.74593 7.27534 8.27358 11.4989 5.50508 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.90837 5.74593 9.58876 8.27358 14.5245 5.50508 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 8.63522 9.2062 6.69798 13.32 14.4245 8.88394 numMergedOcc 0
12 mol 102 unq 1 iso 0 dist 5.43401 9.2062 5.6591 13.32 11.7662 8.88394 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 8.34427 7.32407 4.68204 5.9261 9.86237 9.73158 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 8.34427 6.48695 9.09658 5.9261 9.86237 7.59327 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 9.47945 6.4751 15.864 5.72737 13.299 7.22518 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 9.47945 6.4751 15.864 6.4423 14.3833 5.25109 numMergedOcc 0
17 mol 171 unq 2 iso 0 dist 9.47945 5.75085 14.3848 5.72737 13.299 7.58499 numMergedOcc 0
18 mol 171 unq 3 iso 0 dist 9.47945 5.75085 14.3848 6.4423 14.3833 8.21618 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 5.69763 6.57575 6.38935 8.8996 10.896 6.38324 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 7.38622 9.30761 7.75447 8.70006 11.9074 6.38324 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 8.82165 9.30761 6.38935 8.70006 10.896 6.38324 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 9.17355 9.33514 13.1451 15.6069 20.5023 9.73541 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 6.82688 8.27761 5.39184 8.33098 12.4203 9.78181 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 6.82688 8.27761 5.39184 17.7633 13.5442 9.8664 numMergedOcc 0
25 mol 244 unq 0 iso 0 dist 6.51428 9.97458 16.0237 12.5433 16.8499 7.95359 numMergedOcc 0
26 mol 244 unq 1 iso 0 dist 6.51428 9.97458 16.0237 14.3743 20.768 6.22122 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 8.07242 5.75889 7.0065 6.38496 5.70063 5.92274 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 7.02503 9.38952 11.9041 5.87081 10.705 6.73712 numMergedOcc 0
29 mol 280 unq 1 iso 0 dist 7.02503 9.38952 11.9041 10.1012 15.6288 9.35704 numMergedOcc 0
30 mol 280 unq 2 iso 0 dist 8.57733 7.42529 11.1898 7.98547 13.9796 6.73712 numMergedOcc 0
31 mol 280 unq 3 iso 0 dist 8.57733 7.42529 11.1898 15.5627 20.4438 9.35704 numMergedOcc 0
32 mol 280 unq 4 iso 0 dist 9.05509 7.42529 11.0648 7.98547 11.0977 6.73712 numMergedOcc 0
33 mol 280 unq 5 iso 0 dist 9.05509 7.42529 11.0648 15.5627 19.0964 9.35704 numMergedOcc 0
