0 mol 8 unq 0 iso 0 dist 9.86938 4.04843 8.70858 7.08043 8.99126 8.33226 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 9.75205 9.04108 7.11852 15.6961 9.10189 14.0389 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 5.44714 10.6782 9.20053 5.19652 6.81812 13.4385 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 7.50886 6.76815 6.06039 9.09179 6.73814 5.0333 numMergedOcc 0
4 mol 155 unq 0 iso 0 dist 7.50392 4.90139 9.77059 4.94973 9.38946 8.78324 numMergedOcc 0
5 mol 173 unq 0 iso 0 dist 9.56248 5.02687 9.71921 8.11337 7.93331 4.98931 numMergedOcc 0
6 mol 173 unq 1 iso 0 dist 9.56248 5.02687 9.71921 10.8336 6.98095 7.47584 numMergedOcc 0
7 mol 173 unq 2 iso 0 dist 9.56248 5.02687 9.71921 10.6484 8.31897 9.50929 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 9.70025 5.54298 7.39743 6.20895 7.37327 5.38569 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 7.42108 3.94874 8.55287 4.81807 9.93083 6.89601 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 7.42108 3.94874 8.55287 7.79648 7.01383 8.16006 numMergedOcc 0
11 mol 183 unq 2 iso 0 dist 9.19941 12.483 8.55287 7.68618 9.93083 6.89601 numMergedOcc 0
12 mol 183 unq 3 iso 0 dist 9.19941 12.483 8.55287 6.50505 7.01383 8.16006 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 8.32685 13.1844 8.4273 10.5326 8.99696 17.4229 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 6.74777 14.3934 8.4273 5.29309 8.99696 17.4229 numMergedOcc 0
15 mol 197 unq 2 iso 0 dist 9.62514 17.4892 8.4273 4.57437 8.99696 17.4229 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 7.79085 11.2066 9.94653 12.6449 7.07392 10.8978 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 7.79085 11.2066 9.94653 12.0243 9.62952 10.9318 numMergedOcc 0
18 mol 232 unq 2 iso 0 dist 7.79085 6.71409 7.97572 12.6449 7.07392 10.4487 numMergedOcc 0
19 mol 232 unq 3 iso 0 dist 7.79085 6.71409 7.97572 12.0243 9.62952 9.66136 numMergedOcc 0
20 mol 232 unq 4 iso 0 dist 6.48753 12.4884 9.94653 10.0878 7.07392 10.8978 numMergedOcc 0
21 mol 232 unq 5 iso 0 dist 6.48753 12.4884 9.94653 9.58249 9.62952 10.9318 numMergedOcc 0
22 mol 232 unq 6 iso 0 dist 6.48753 8.37849 7.97572 10.0878 7.07392 10.4487 numMergedOcc 0
23 mol 232 unq 7 iso 0 dist 6.48753 8.37849 7.97572 9.58249 9.62952 9.66136 numMergedOcc 0
24 mol 232 unq 8 iso 0 dist 7.83802 15.1401 9.94653 8.32185 7.07392 10.8978 numMergedOcc 0
25 mol 232 unq 9 iso 0 dist 7.83802 15.1401 9.94653 8.24395 9.62952 10.9318 numMergedOcc 0
26 mol 232 unq 10 iso 0 dist 7.83802 11.9221 7.97572 8.32185 7.07392 10.4487 numMergedOcc 0
27 mol 232 unq 11 iso 0 dist 7.83802 11.9221 7.97572 8.24395 9.62952 9.66136 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 7.83363 7.87406 7.6416 12.3957 9.43203 12.1659 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 8.53888 12.8993 8.75924 10.3202 8.61104 7.07529 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 9.46855 9.17097 8.75924 10.1405 8.61104 7.07529 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 7.12793 9.26814 9.13209 11.2287 7.34205 5.15462 numMergedOcc 0
32 mol 294 unq 1 iso 0 dist 6.21208 5.61757 9.13209 6.45145 7.34205 5.15462 numMergedOcc 0
