0 mol 1 unq 0 iso 0 dist 5.65716 6.44928 6.09918 4.36042 8.26708 5.92202 12.6791 7.94662 9.00903 14.3332 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 5.80023 9.24958 12.3067 9.54519 4.33963 5.54419 7.36323 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.70141 5.80023 9.24958 13.2653 4.93188 12.3067 9.54519 4.33963 7.36323 5.54419 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 5.97432 6.17631 5.81959 5.59268 6.90155 10.6808 9.87281 7.63409 7.31767 12.4135 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 5.97432 6.17631 5.81959 5.59268 6.90155 10.6808 7.63928 8.4666 6.03987 11.6743 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 5.97432 5.59268 6.90155 6.17631 5.81959 10.6808 10.5993 9.36158 7.57578 13.7311 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 5.97432 5.59268 6.90155 6.17631 5.81959 10.6808 8.88413 10.1525 7.17969 12.9968 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 6.73259 4.09495 5.69955 8.18809 8.6385 9.78225 10.8071 10.6756 8.34347 17.7357 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 8.60352 8.26353 5.69955 7.06347 8.6385 9.78225 15.7585 10.6756 8.34347 17.7357 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 6.15568 4.18584 6.06454 9.0702 9.44459 5.24762 7.19021 5.73693 6.43774 7.2846 numMergedOcc 0
10 mol 45 unq 1 iso 0 dist 6.15568 9.0702 9.44459 4.18584 6.06454 5.24762 7.19021 5.73693 7.2846 6.43774 numMergedOcc 0
11 mol 45 unq 2 iso 0 dist 6.15568 9.0702 9.44459 4.18584 6.06454 5.24762 14.4598 11.6164 7.58835 11.2563 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.98999 6.68714 7.23962 10.8795 9.00067 7.03147 7.15985 3.98564 9.60462 11.192 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 7.98999 6.68714 7.23962 13.2606 9.89499 11.4954 7.15985 3.98564 9.60462 10.9806 numMergedOcc 0
14 mol 112 unq 2 iso 0 dist 7.98999 6.68714 7.23962 6.71889 7.30204 7.05226 7.15985 3.98564 9.60462 7.45389 numMergedOcc 0
15 mol 112 unq 3 iso 0 dist 7.98999 6.71889 7.30204 6.68714 7.23962 7.05226 7.15985 3.98564 7.45389 9.60462 numMergedOcc 0
16 mol 112 unq 4 iso 0 dist 7.98999 6.71889 7.30204 10.8795 9.00067 5.56241 7.15985 3.98564 7.45389 11.192 numMergedOcc 0
17 mol 112 unq 5 iso 0 dist 7.98999 6.71889 7.30204 13.2606 9.89499 6.77737 7.15985 3.98564 7.45389 10.9806 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 5.33314 11.1522 8.86329 11.4573 8.71039 5.55373 11.0728 5.89022 8.40312 7.12972 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 5.33314 11.4573 8.71039 11.1522 8.86329 5.55373 11.0728 5.89022 7.12972 8.40312 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 7.2593 5.4694 5.22356 15 11.0628 7.22101 8.65997 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 8.12518 12.3465 8.38865 7.2593 5.4694 5.22356 17.8923 12.9587 7.09863 10.8157 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 8.12518 7.2593 5.4694 12.3465 8.38865 5.22356 15 11.0628 8.65997 7.22101 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 9.81593 8.32163 8.47784 10.6815 8.66469 13.2361 13.1438 5.89666 8.1148 14.2744 numMergedOcc 0
24 mol 252 unq 1 iso 0 dist 9.81593 8.32163 8.47784 10.6815 8.66469 13.2361 10.901 10.672 8.1715 17.8419 numMergedOcc 0
25 mol 252 unq 2 iso 0 dist 9.78248 16.5062 8.47784 9.67333 8.66469 13.2361 12.98 5.89666 8.1148 14.2744 numMergedOcc 0
26 mol 252 unq 3 iso 0 dist 9.78248 16.5062 8.47784 9.67333 8.66469 13.2361 20.1757 10.672 8.1715 17.8419 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 8.78354 11.5659 6.70815 11.716 7.99477 7.26417 15.0351 7.42673 6.60405 6.42289 numMergedOcc 0
28 mol 258 unq 1 iso 0 dist 8.78354 11.716 7.99477 11.5659 6.70815 7.26417 15.0351 7.42673 6.42289 6.60405 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 8.28871 13.8765 6.14323 11.5671 6.04162 4.92077 19.6488 13.0621 9.17653 13.4025 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 7.94668 6.12009 6.14323 5.21164 6.04162 4.92077 10.7664 13.0621 9.17653 13.4025 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 8.36282 9.49608 9.64269 5.87695 6.88809 6.6954 12.3257 4.86504 9.97651 10.1698 numMergedOcc 0
32 mol 272 unq 1 iso 0 dist 8.36282 9.49608 9.64269 12.8166 8.46061 8.12676 12.3257 4.86504 9.97651 8.46116 numMergedOcc 0
33 mol 272 unq 2 iso 0 dist 8.36282 12.8166 8.46061 9.49608 9.64269 8.12676 16.7222 8.7909 8.33638 13.2494 numMergedOcc 0
34 mol 272 unq 3 iso 0 dist 8.36282 12.8166 8.46061 9.49608 9.64269 8.12676 12.3257 4.86504 8.46116 9.97651 numMergedOcc 0
35 mol 272 unq 4 iso 0 dist 8.36282 12.8166 8.46061 5.87695 6.88809 7.34222 16.7222 8.7909 8.33638 13.168 numMergedOcc 0
36 mol 272 unq 5 iso 0 dist 8.36282 12.8166 8.46061 5.87695 6.88809 7.34222 12.3257 4.86504 8.46116 10.1698 numMergedOcc 0
