0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 12.0214 10.2446 7.88043 14.6751 10.5461 12.2041 5.72491 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.18518 6.57145 4.54938 8.63204 5.18512 6.92532 15.2051 9.78944 10.8007 7.48847 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.18518 6.57145 4.54938 8.63204 5.18512 6.92532 6.01189 7.82074 5.03957 6.36455 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 8.18518 6.01189 7.82074 8.63204 5.18512 6.36455 15.2051 9.78944 10.6598 7.48847 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 8.18518 6.01189 7.82074 8.63204 5.18512 6.36455 6.57145 4.54938 5.03957 6.92532 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 4.61828 6.00575 6.60423 8.8926 11.573 7.05502 7.83786 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.8058 5.09908 8.33063 8.4928 9.62257 9.96399 10.0675 8.7531 7.29309 7.55695 numMergedOcc 0
7 mol 60 unq 1 iso 0 dist 8.8058 5.09908 8.33063 8.4928 9.62257 9.96399 14.3334 11.5843 12.2509 8.82176 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 8.8058 10.0675 8.7531 8.4928 9.62257 7.55695 5.09908 8.33063 7.29309 9.96399 numMergedOcc 0
9 mol 60 unq 3 iso 0 dist 8.8058 10.0675 8.7531 8.4928 9.62257 7.55695 14.3334 11.5843 5.00018 8.82176 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 9.43616 10.746 7.71338 10.7806 8.56707 6.43433 14.9116 12.603 5.0812 9.92283 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 5.81552 10.626 9.60462 19.0535 17.3924 9.92283 15.6564 13.9874 5.0812 6.43433 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 5.81552 10.626 9.60462 6.48223 3.98564 7.23962 8.19562 11.192 7.03147 9.00067 numMergedOcc 0
13 mol 112 unq 3 iso 0 dist 5.81552 10.626 9.60462 6.48223 3.98564 7.23962 5.71097 10.9806 11.4954 9.89499 numMergedOcc 0
14 mol 112 unq 4 iso 0 dist 5.81552 10.626 9.60462 6.48223 3.98564 7.23962 5.27363 7.45389 7.05226 7.30204 numMergedOcc 0
15 mol 112 unq 5 iso 0 dist 5.81552 5.27363 7.45389 6.48223 3.98564 7.30204 10.626 9.60462 7.05226 7.23962 numMergedOcc 0
16 mol 112 unq 6 iso 0 dist 5.81552 5.27363 7.45389 6.48223 3.98564 7.30204 8.19562 11.192 5.56241 9.00067 numMergedOcc 0
17 mol 112 unq 7 iso 0 dist 5.81552 5.27363 7.45389 6.48223 3.98564 7.30204 5.71097 10.9806 6.77737 9.89499 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.86297 7.56632 9.09754 12.4751 9.97575 8.64409 15.4925 15.6447 8.04815 9.56197 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 6.86297 7.56632 9.09754 12.4751 9.97575 8.64409 19.2195 16.9992 13.684 7.24795 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 6.86297 7.56632 9.09754 12.4751 9.97575 8.64409 12.8164 14.1487 7.18269 7.60202 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.4835 14.5108 8.82096 15.5549 10.2399 8.46327 19.8064 16.7691 12.7897 7.05523 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 7.27481 5.68063 6.00706 9.04499 6.42798 7.862 15.0199 12.6531 10.5806 9.2581 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 7.27481 5.68063 6.00706 9.04499 6.42798 7.862 8.88 11.8674 6.9154 9.62632 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.98022 6.3873 5.72887 12.6187 12.3808 7.32982 14.5093 13.5431 10.0191 6.66971 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.98022 6.3873 5.72887 12.6187 12.3808 7.32982 16.1308 12.8711 10.1648 6.4398 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 4.78812 5.27123 8.33638 7.11691 8.7909 8.46061 11.9042 13.2494 8.12676 9.64269 numMergedOcc 0
27 mol 272 unq 1 iso 0 dist 4.78812 5.27123 8.33638 7.11691 8.7909 8.46061 9.87214 13.168 7.34222 6.88809 numMergedOcc 0
28 mol 272 unq 2 iso 0 dist 6.62923 11.9042 9.97651 7.11691 4.86504 9.64269 9.87214 10.1698 6.6954 6.88809 numMergedOcc 0
29 mol 272 unq 3 iso 0 dist 6.62923 11.9042 9.97651 7.11691 4.86504 9.64269 5.27123 8.46116 8.12676 8.46061 numMergedOcc 0
30 mol 272 unq 4 iso 0 dist 6.62923 5.27123 8.46116 7.11691 4.86504 8.46061 11.9042 9.97651 8.12676 9.64269 numMergedOcc 0
31 mol 272 unq 5 iso 0 dist 6.62923 5.27123 8.46116 7.11691 4.86504 8.46061 9.87214 10.1698 7.34222 6.88809 numMergedOcc 0
