0 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 9.78006 3.98483 7.98363 8.69454 8.55451 13.2602 9.64824 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 6.85412 8.27962 9.78006 3.98483 7.98363 5.84314 5.8245 9.71516 7.05919 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.57077 6.33889 11.4878 9.78006 3.98483 10.4204 8.69454 8.55451 12.6418 9.64824 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.57077 6.33889 11.4878 9.78006 3.98483 10.4204 5.84314 5.8245 9.81658 7.05919 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.03987 7.685 10.3635 5.81959 8.4666 9.96732 4.77954 7.99919 12.201 8.52777 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 7.27383 6.37648 9.17656 4.00553 9.08221 10.1478 6.87028 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 7.27383 6.37648 10.8775 4.00553 9.08221 10.7327 6.87028 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.19965 9.47876 11.6116 7.1589 5.08358 12.5072 4.41789 7.7068 10.7558 10.7316 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.33898 8.36431 10.9701 6.61823 6.08245 10.4141 4.3481 7.06939 10.5758 6.9223 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.33898 8.36431 10.9701 6.49956 6.86728 4.36639 4.3481 7.06939 10.5758 7.0561 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 9.64443 8.36431 12.4284 6.61823 7.24315 10.4141 5.31547 9.36001 13.3865 6.98037 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 9.64443 8.36431 12.4284 6.49956 12.163 4.36639 5.31547 9.36001 13.3865 11.0654 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 5.34214 9.14441 5.94311 5.00433 8.52024 9.74008 9.78192 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 5.72642 5.61704 5.87507 5.03039 6.04595 13.0432 8.4965 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 5.83991 8.66155 6.09023 5.72642 6.4497 5.87507 6.01673 6.24825 10.8109 10.6602 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 6.11741 6.99777 10.8292 5.74857 6.08806 6.03931 6.07067 6.39384 12.9982 10.3973 numMergedOcc 0
16 mol 115 unq 3 iso 0 dist 6.11741 9.14376 6.12943 5.74857 6.08806 5.99374 6.07067 6.39384 10.7985 10.3973 numMergedOcc 0
17 mol 115 unq 4 iso 0 dist 7.88312 6.99777 11.7126 5.74857 7.21418 6.03931 11.835 7.69765 16.7897 14.0614 numMergedOcc 0
18 mol 115 unq 5 iso 0 dist 7.88312 6.99777 11.7126 5.74857 7.21418 6.03931 6.07067 9.42082 12.9982 10.3973 numMergedOcc 0
19 mol 115 unq 6 iso 0 dist 7.88312 9.14376 4.62962 5.74857 7.21418 5.99374 11.835 7.69765 12.0921 14.0614 numMergedOcc 0
20 mol 115 unq 7 iso 0 dist 7.88312 9.14376 4.62962 5.74857 7.21418 5.99374 6.07067 9.42082 10.7985 10.3973 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 7.77116 3.78311 8.96522 9.68677 7.64052 9.08536 9.57341 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 7.41373 9.33094 11.7151 5.11043 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 6.49416 8.6355 5.41704 5.53031 8.46636 11.9544 12.3479 9.33094 11.7151 15.5709 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 12.8086 9.1998 14.0978 6.99345 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 7.41373 8.69531 11.7151 5.11043 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 6.69288 8.96511 10.5783 4.92088 10.1489 7.07052 6.42973 7.06025 12.6109 8.25282 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.51749 13.8722 10.4684 12.9532 9.76212 14.5897 16.2165 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 6.51749 13.8722 12.69 12.9532 9.76212 12.3788 16.2165 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 6.61986 8.19953 10.7113 8.37597 4.59567 8.5129 5.13732 8.08349 5.73591 8.54702 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 8.48753 7.67853 6.64985 9.05222 6.59863 6.3139 5.12237 6.44147 8.84523 10.6235 numMergedOcc 0
