0 mol 7 unq 0 iso 0 dist 8.77133 5.0893 6.36911 11.4481 7.45262 10.2446 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.77133 5.0893 6.36911 13.9708 6.96586 12.3097 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.77133 15.8567 9.36807 11.4481 7.45262 5.44992 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.77133 15.8567 9.36807 13.9708 6.96586 4.74523 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 8.70858 8.33226 8.99126 11.3943 8.94096 5.02333 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.9648 9.07666 8.63333 12.1007 7.93481 6.89191 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.9648 5.93193 8.89374 12.1007 7.93481 11.0355 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 9.9648 5.72191 6.46761 12.1007 7.93481 11.3547 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 9.9648 10.3384 9.73139 12.1007 7.93481 11.9834 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 9.7198 7.50148 7.04352 12.2364 9.52877 4.85355 numMergedOcc 0
10 mol 75 unq 0 iso 0 dist 9.24433 11.278 6.33365 8.46489 9.48876 5.90778 numMergedOcc 0
11 mol 75 unq 1 iso 0 dist 9.24433 4.95201 5.15851 8.46489 9.48876 9.12189 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 6.06039 5.0333 6.73814 8.20908 8.11094 5.6074 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.28884 8.22558 9.12581 6.00932 5.38314 4.28797 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 8.28884 5.21262 8.74308 6.00932 5.38314 6.97875 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 7.46812 11.0256 7.92688 13.7767 9.4062 8.6769 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 9.71921 4.98931 7.93331 11.0327 7.54706 6.65184 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 9.71921 7.47584 6.98095 11.0327 7.54706 4.68119 numMergedOcc 0
18 mol 173 unq 2 iso 0 dist 9.71921 9.50929 8.31897 11.0327 7.54706 6.6407 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 7.39743 5.38569 7.37327 11.2585 7.96291 9.92777 numMergedOcc 0
20 mol 188 unq 0 iso 0 dist 6.02957 6.90449 6.90541 4.94877 7.48284 5.48276 numMergedOcc 0
21 mol 197 unq 0 iso 0 dist 8.4273 17.4229 8.99696 10.1382 9.71865 15.4462 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 9.3526 6.51118 7.21533 12.5946 8.16598 6.74772 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 8.58039 7.71164 4.26212 13.5727 7.78247 5.90341 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 8.58039 7.71164 4.26212 7.13104 7.37935 5.84474 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 8.64747 5.54495 7.39747 7.2797 7.18771 5.66732 numMergedOcc 0
26 mol 239 unq 1 iso 0 dist 5.91933 5.54495 8.1777 7.2797 7.94894 5.66732 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 8.75924 7.07529 8.61104 8.93852 6.01071 6.34358 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 9.73261 11.2546 7.52785 5.36357 7.94959 7.09757 numMergedOcc 0
