0 mol 11 unq 0 iso 0 dist 9.74528 11.5768 4.79838 13.2484 3.66215 5.43238 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 8.70331 7.9487 5.9972 7.33936 4.84198 7.18766 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.43913 4.16088 7.03832 8.80334 5.67204 9.54797 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.26877 4.16088 7.16443 8.80334 4.28224 9.54797 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.99434 8.93697 7.16443 12.2147 4.28224 9.54797 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.49794 4.09894 7.08628 8.45484 4.12075 9.76285 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 8.10222 8.4264 7.08628 12.1466 4.12075 9.76285 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.4113 12.5418 5.96977 13.7624 7.85173 8.87941 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 8.53631 5.01204 5.96977 6.71591 7.85173 8.87941 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 9.57243 6.55605 6.40751 7.82011 10.3318 8.55681 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 9.57243 6.55605 6.40751 12.1002 5.72856 6.2135 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 8.06007 14.9849 7.6077 13.7519 6.54263 6.74517 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 8.77524 5.64245 4.51124 11.354 3.99343 5.89018 numMergedOcc 0
13 mol 228 unq 0 iso 0 dist 6.9196 6.24124 8.29523 4.55699 5.63283 7.46689 numMergedOcc 0
14 mol 228 unq 1 iso 0 dist 6.9196 6.24124 8.29523 8.10816 3.65229 8.37287 numMergedOcc 0
15 mol 228 unq 2 iso 0 dist 6.72203 6.22795 8.13557 7.95486 3.62742 8.07174 numMergedOcc 0
16 mol 228 unq 3 iso 0 dist 6.72203 6.22795 8.13557 4.42593 5.34726 7.09766 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 8.62485 13.2905 8.71877 12.9002 6.07223 6.00721 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.99104 14.2646 9.99181 13.6795 14.8407 8.53287 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 9.84028 6.69832 6.59989 8.5372 6.19835 6.03988 numMergedOcc 0
20 mol 286 unq 0 iso 0 dist 8.08382 10.4495 9.81574 12.1634 13.7624 8.81794 numMergedOcc 0
