0 mol 10 unq 0 iso 0 dist 9.31452 7.99404 8.65597 8.44864 5.16967 8.76488 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.45133 7.2159 12.8622 8.51496 4.96793 11.8568 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 7.45133 8.93093 7.62878 8.51496 4.96793 5.39161 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 5.76869 8.55031 10.6623 9.50444 7.78646 9.9271 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 7.70084 8.55031 10.1549 9.50444 6.14702 9.9271 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 7.88704 7.80113 11.1337 5.91009 5.97632 8.5555 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 9.54782 7.80113 14.3925 5.91009 11.351 8.5555 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.28161 9.99537 7.37399 6.37888 4.76916 7.27534 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.55124 7.62629 5.87063 7.4518 11.6667 10.9752 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.55124 7.62629 5.87063 9.1687 5.0847 10.2765 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.27253 5.28955 4.92027 8.75431 7.21894 5.01597 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.06644 9.49104 7.1809 5.49198 5.90151 5.45341 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.06644 9.49104 7.1809 8.7311 5.75197 10.2702 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.53875 6.32669 8.28737 7.6793 12.6641 4.8653 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 9.39697 9.0153 13.0454 8.13947 6.45756 8.94335 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 4.86882 9.0153 5.11289 8.13947 5.65165 8.94335 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 6.41167 9.4886 7.55896 8.63176 9.76914 8.01004 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 5.75335 8.78928 7.68527 6.38341 5.63899 5.06747 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 5.75335 8.78928 7.68527 9.78826 7.46111 6.30473 numMergedOcc 0
19 mol 273 unq 2 iso 0 dist 8.76527 8.78928 10.4936 6.38341 11.3048 5.06747 numMergedOcc 0
20 mol 273 unq 3 iso 0 dist 8.76527 8.78928 10.4936 9.78826 5.60451 6.30473 numMergedOcc 0
