0 mol 30 unq 0 iso 0 dist 7.83595 7.75449 5.38833 8.90581 5.02236 6.37795 7.88072 7.22162 3.30907 5.6849 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.04551 8.69374 7.92359 6.8073 6.62574 13.2875 7.49794 13.0811 11.3226 13.357 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.04551 8.69374 7.92359 5.60663 9.48836 9.44799 7.49794 13.0811 11.3226 6.34854 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.31161 8.69374 5.59983 6.8073 12.2137 13.2875 7.49794 5.91316 11.3226 13.357 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 6.31161 8.69374 5.59983 5.60663 5.2902 9.44799 7.49794 5.91316 11.3226 6.34854 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.35912 9.25631 14.1737 5.55574 8.07336 12.2845 6.89855 10.749 5.98039 7.1742 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 5.78962 9.00799 7.15588 6.93893 9.0185 11.0296 8.91998 5.4863 4.52107 12.8723 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 5.78962 6.29207 8.74291 6.93893 9.0185 6.59567 8.91998 5.4863 13.7851 12.8723 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.18835 8.03269 13.298 5.12002 10.1606 5.44186 7.06763 7.47617 8.94045 4.26413 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 9.18835 8.03269 13.298 8.46914 5.30162 9.64456 7.06763 7.47617 8.94045 3.64386 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 9.18835 6.55349 9.29137 5.12002 10.1606 4.58032 7.06763 7.47617 6.33005 4.26413 numMergedOcc 0
11 mol 120 unq 3 iso 0 dist 9.18835 6.55349 9.29137 8.46914 5.30162 5.92549 7.06763 7.47617 6.33005 3.64386 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 9.86842 8.74958 12.8839 9.04549 4.86652 10.3077 8.40918 4.42208 13.5444 5.09879 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 8.98459 7.98503 6.79626 9.31025 5.76291 11.5377 9.88912 4.06355 8.91488 6.17752 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 8.98459 7.98503 6.79626 9.31025 5.76291 11.5377 9.46218 11.8004 5.62563 15.8538 numMergedOcc 0
15 mol 162 unq 2 iso 0 dist 8.98459 7.80955 8.44832 9.31025 5.76291 8.06906 9.88912 4.06355 5.77936 6.17752 numMergedOcc 0
16 mol 162 unq 3 iso 0 dist 8.98459 7.80955 8.44832 9.31025 5.76291 8.06906 9.46218 11.8004 12.2501 15.8538 numMergedOcc 0
17 mol 162 unq 4 iso 0 dist 8.98459 7.93307 13.1065 9.31025 5.76291 15.1574 9.88912 4.06355 12.3926 6.17752 numMergedOcc 0
18 mol 162 unq 5 iso 0 dist 8.98459 7.93307 13.1065 9.31025 5.76291 15.1574 9.46218 11.8004 6.41455 15.8538 numMergedOcc 0
19 mol 165 unq 0 iso 0 dist 9.59989 4.46402 11.4693 5.79029 9.33914 3.64317 9.98689 9.80262 13.1897 11.7621 numMergedOcc 0
20 mol 165 unq 1 iso 0 dist 9.59989 4.46402 11.4693 5.79029 9.33914 3.64317 5.93144 11.7431 4.12949 6.57937 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 9.45847 5.67457 12.5274 4.88303 13.3059 4.53585 8.5544 15.8504 5.05833 8.00739 numMergedOcc 0
22 mol 184 unq 1 iso 0 dist 7.895 5.67457 8.33714 4.88303 5.18787 4.53585 8.5544 8.94646 5.05833 8.00739 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 4.58291 9.44266 6.86808 8.28295 5.47473 7.34963 7.94413 6.52619 4.6846 4.73496 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 6.88683 7.5725 5.71181 8.85051 5.50843 6.78617 8.01593 7.62813 3.28958 6.2222 numMergedOcc 0
25 mol 280 unq 0 iso 0 dist 7.02503 7.15389 8.27425 9.38952 11.9041 3.84243 7.00616 3.76721 5.34867 8.71368 numMergedOcc 0
