0 mol 8 unq 0 iso 0 dist 7.91052 4.04843 7.74386 6.68091 6.04779 8.68949 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 8.54108 9.50033 8.53135 12.0262 6.69806 5.36278 numMergedOcc 0
2 mol 29 unq 1 iso 0 dist 8.54108 9.50033 8.53135 6.73481 5.82508 7.50258 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.34361 14.1632 6.29755 17.4052 10.4221 8.16246 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 8.34361 15.4599 7.4038 17.4052 10.4221 9.48823 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.19382 7.38136 8.3814 12.9819 9.84981 9.04549 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 9.19382 7.38136 8.3814 12.1386 6.58099 7.11706 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 7.49861 4.69203 5.45684 12.7747 7.59945 8.52643 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 7.49861 4.69203 5.45684 9.67624 5.65551 5.41357 numMergedOcc 0
9 mol 64 unq 2 iso 0 dist 7.49861 5.59746 7.66372 12.7747 7.59945 9.75299 numMergedOcc 0
10 mol 64 unq 3 iso 0 dist 7.49861 5.59746 7.66372 9.67624 5.65551 9.30042 numMergedOcc 0
11 mol 64 unq 4 iso 0 dist 6.2165 4.69203 7.76644 12.7747 13.3239 8.52643 numMergedOcc 0
12 mol 64 unq 5 iso 0 dist 6.2165 4.69203 7.76644 9.67624 9.81422 5.41357 numMergedOcc 0
13 mol 64 unq 6 iso 0 dist 6.2165 5.59746 9.99743 12.7747 13.3239 9.75299 numMergedOcc 0
14 mol 64 unq 7 iso 0 dist 6.2165 5.59746 9.99743 9.67624 9.81422 9.30042 numMergedOcc 0
15 mol 99 unq 0 iso 0 dist 7.09617 4.95662 4.82346 8.44207 8.61334 8.68674 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 9.79739 4.45483 8.88401 10.8491 10.503 6.79959 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.66828 7.7205 7.26325 15.2418 6.64929 9.61101 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 9.32658 11.9416 7.08934 14.2607 8.59214 6.59407 numMergedOcc 0
19 mol 209 unq 0 iso 0 dist 8.49635 5.89664 6.82209 14.9234 8.95238 9.79293 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 9.33775 11.9181 9.42877 12.5181 6.40216 6.28935 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 9.16789 4.30655 6.2667 9.53211 8.64762 7.79787 numMergedOcc 0
22 mol 244 unq 1 iso 0 dist 8.19381 8.49995 6.2667 14.3026 8.64762 7.79787 numMergedOcc 0
23 mol 250 unq 0 iso 0 dist 8.52434 14.6432 8.59384 19.7304 11.6337 8.51703 numMergedOcc 0
24 mol 250 unq 1 iso 0 dist 8.52434 14.6432 8.59384 14.0793 5.95822 5.07895 numMergedOcc 0
25 mol 250 unq 2 iso 0 dist 8.63767 16.6108 8.59384 19.2865 11.6337 8.51703 numMergedOcc 0
26 mol 250 unq 3 iso 0 dist 8.63767 16.6108 8.59384 14.4907 5.95822 5.07895 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 6.41167 5.66907 8.73425 9.52903 5.79358 8.10903 numMergedOcc 0
28 mol 258 unq 1 iso 0 dist 6.41167 9.6053 9.65711 12.3615 7.88062 8.70193 numMergedOcc 0
29 mol 258 unq 2 iso 0 dist 6.41167 9.6053 9.65711 9.52903 5.79358 7.25618 numMergedOcc 0
30 mol 271 unq 0 iso 0 dist 8.54162 5.60228 5.76281 6.75395 7.94329 9.50884 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 6.38555 4.35986 5.34803 9.52059 6.62729 5.37747 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 9.40631 6.27821 7.346 11.6666 7.05181 5.78262 numMergedOcc 0
33 mol 273 unq 1 iso 0 dist 9.83374 5.87385 7.84151 9.80002 7.01631 5.78262 numMergedOcc 0
34 mol 273 unq 2 iso 0 dist 5.97798 5.87385 7.346 9.80002 7.05181 5.78262 numMergedOcc 0
35 mol 273 unq 3 iso 0 dist 5.75335 3.92089 7.84151 6.73794 7.01631 5.78262 numMergedOcc 0
36 mol 273 unq 4 iso 0 dist 8.76527 3.92089 7.346 6.73794 7.05181 5.78262 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 4.26671 4.65268 6.38295 6.0218 5.846 4.45141 numMergedOcc 0
