0 mol 41 unq 0 iso 0 dist 9.59131 5.31016 6.78868 8.0072 9.00425 4.23447 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.47718 9.27409 5.65462 8.55202 5.91159 4.07933 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.53794 9.4486 18.0271 7.32064 16.4946 8.39195 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.53794 9.4486 18.0271 5.24136 14.0662 7.90926 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.53794 9.4486 18.0271 6.44687 10.1424 11.1849 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 9.53794 9.4486 18.0271 5.85007 13.583 7.71963 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 9.84346 9.4486 18.5554 7.32064 13.8703 8.39195 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 9.84346 9.4486 18.5554 5.24136 13.4395 7.90926 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 9.84346 9.4486 18.5554 6.44687 14.488 11.1849 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 9.84346 9.4486 18.5554 5.85007 11.9719 7.71963 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 7.97999 5.91009 8.73164 7.84642 3.72263 6.11879 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 8.36326 9.49995 10.2414 9.70292 10.1179 5.88327 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 8.36326 9.49995 10.2414 9.59704 11.97 3.96826 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 7.84249 6.09626 6.62328 4.77996 3.78964 5.08111 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.64281 5.37302 9.01097 6.12348 7.09333 3.84573 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 7.72434 8.4733 13.0801 5.90003 11.4056 10.3622 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 9.76722 8.90876 6.62718 9.23064 9.43003 12.6805 numMergedOcc 0
17 mol 168 unq 1 iso 0 dist 9.76722 8.90876 6.62718 7.30338 8.01699 4.02702 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 9.83308 5.51388 9.12553 6.27683 7.0638 3.95773 numMergedOcc 0
19 mol 169 unq 1 iso 0 dist 8.97159 5.51388 12.8642 6.27683 13.7432 3.95773 numMergedOcc 0
20 mol 169 unq 2 iso 0 dist 8.44483 7.91434 13.754 6.00783 8.55252 5.52164 numMergedOcc 0
21 mol 169 unq 3 iso 0 dist 8.44483 7.79437 15.222 6.00783 8.55252 8.86736 numMergedOcc 0
22 mol 169 unq 4 iso 0 dist 9.79864 7.91434 9.38287 6.00783 5.37021 5.52164 numMergedOcc 0
23 mol 169 unq 5 iso 0 dist 9.79864 7.79437 13.8794 6.00783 5.37021 8.86736 numMergedOcc 0
24 mol 169 unq 6 iso 0 dist 9.73241 7.91434 4.80754 6.00783 8.90362 5.52164 numMergedOcc 0
25 mol 169 unq 7 iso 0 dist 9.73241 7.79437 8.15907 6.00783 8.90362 8.86736 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 8.59783 6.80086 13.1204 6.51523 9.12839 5.3374 numMergedOcc 0
27 mol 171 unq 1 iso 0 dist 8.59783 6.21194 4.98945 6.76574 9.74745 4.88147 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 8.97651 8.13947 4.13357 9.48766 8.34322 5.66395 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 8.31651 8.37379 4.14576 9.49163 8.51677 5.8463 numMergedOcc 0
30 mol 244 unq 0 iso 0 dist 5.06669 5.79898 10.6799 9.11416 12.7525 5.30519 numMergedOcc 0
31 mol 244 unq 1 iso 0 dist 5.65248 5.79898 8.05133 9.11416 7.99094 5.30519 numMergedOcc 0
32 mol 278 unq 0 iso 0 dist 9.60643 6.81257 5.04243 9.54428 3.96363 5.08871 numMergedOcc 0
33 mol 278 unq 1 iso 0 dist 7.79408 6.81257 4.74121 9.54428 8.26501 5.08871 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.35169 6.68863 9.58852 5.72473 10.0594 6.32259 numMergedOcc 0
