0 mol 7 unq 0 iso 0 dist 9.19844 5.38502 7.5706 15.4283 7.12105 14.6803 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.19844 7.39982 6.28925 15.4283 7.12105 10.2446 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.19844 17.8838 8.70159 15.4283 7.12105 5.44992 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 7.44829 13.006 8.08117 15.6196 9.10516 5.3502 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 6.56768 6.55558 5.75761 7.0813 7.59119 6.61767 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.64454 9.41535 7.13536 5.41761 9.7007 12.3529 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 6.59252 5.83044 7.13536 9.8912 9.7007 12.3529 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 8.95194 6.07226 6.066 5.03089 6.92784 5.31226 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 8.95194 11.3835 9.36032 5.03089 6.92784 9.61103 numMergedOcc 0
9 mol 88 unq 2 iso 0 dist 8.95194 12.4322 8.3592 5.03089 6.92784 7.48682 numMergedOcc 0
10 mol 88 unq 3 iso 0 dist 6.06617 7.70573 9.30559 10.7686 7.65996 9.14315 numMergedOcc 0
11 mol 88 unq 4 iso 0 dist 6.06617 10.0887 5.96359 10.7686 7.65996 7.48682 numMergedOcc 0
12 mol 88 unq 5 iso 0 dist 6.06617 8.35111 7.48974 10.7686 7.65996 7.54949 numMergedOcc 0
13 mol 88 unq 6 iso 0 dist 6.06617 5.6953 8.40428 10.7686 7.65996 11.2245 numMergedOcc 0
14 mol 108 unq 0 iso 0 dist 9.4344 12.692 9.56285 3.73122 9.25893 9.53349 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.82502 6.83988 9.70093 6.40944 7.05969 5.75886 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.82502 6.83988 9.70093 15.6809 9.69257 13.52 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 8.82502 12.1168 6.69217 6.40944 7.05969 6.4739 numMergedOcc 0
18 mol 119 unq 3 iso 0 dist 8.82502 12.1168 6.69217 15.6809 9.69257 3.78311 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 5.80662 5.26273 6.05583 11.1685 6.08509 9.74107 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 7.59434 5.96451 6.95549 11.0956 9.24943 8.68081 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 7.59434 5.96451 6.95549 15.1521 9.58615 12.5754 numMergedOcc 0
22 mol 175 unq 2 iso 0 dist 7.59434 5.96451 6.95549 13.624 6.83568 10.0424 numMergedOcc 0
23 mol 175 unq 3 iso 0 dist 8.09125 13.2027 6.95549 14.556 9.24943 8.68081 numMergedOcc 0
24 mol 175 unq 4 iso 0 dist 8.09125 13.2027 6.95549 10.9098 9.58615 12.5754 numMergedOcc 0
25 mol 175 unq 5 iso 0 dist 8.09125 13.2027 6.95549 5.31207 6.83568 10.0424 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 9.77739 5.9892 7.12045 14.9935 7.88301 9.79302 numMergedOcc 0
27 mol 178 unq 1 iso 0 dist 9.77739 8.88181 8.94945 14.9935 7.88301 8.65097 numMergedOcc 0
28 mol 219 unq 0 iso 0 dist 7.44159 11.5979 5.40597 8.27875 8.54848 8.0904 numMergedOcc 0
29 mol 219 unq 1 iso 0 dist 7.44159 14.2005 7.66784 8.27875 8.54848 13.5905 numMergedOcc 0
30 mol 219 unq 2 iso 0 dist 7.44159 10.1098 8.69579 8.27875 8.54848 15.7531 numMergedOcc 0
31 mol 219 unq 3 iso 0 dist 7.44159 5.49378 6.71733 8.27875 8.54848 10.1691 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 7.84904 5.29737 5.45139 13.5016 9.06516 8.9361 numMergedOcc 0
33 mol 239 unq 1 iso 0 dist 7.84904 15.9383 8.10769 13.5016 9.06516 10.2245 numMergedOcc 0
