0 mol 9 unq 0 iso 0 dist 6.91948 8.67209 9.47063 12.8905 8.14998 13.4984 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 8.48453 12.9838 9.78331 7.57677 8.70792 6.43075 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 7.68916 9.04053 6.31696 4.49773 6.22221 5.88357 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 7.47417 11.8458 6.31696 7.15496 6.22221 5.88357 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.52969 6.10173 7.21955 10.567 9.4278 4.97525 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 8.91837 10.5258 7.02927 3.38932 8.11702 11.1265 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 8.91837 10.5258 7.02927 8.29666 7.44558 9.63255 numMergedOcc 0
7 mol 109 unq 2 iso 0 dist 8.91837 5.61989 6.60933 3.38932 8.11702 6.57741 numMergedOcc 0
8 mol 109 unq 3 iso 0 dist 8.91837 5.61989 6.60933 8.29666 7.44558 4.0719 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 5.87387 10.6075 6.84011 10.4408 9.93438 5.99273 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 8.76613 5.45718 7.70232 3.45896 7.78789 6.05048 numMergedOcc 0
11 mol 117 unq 1 iso 0 dist 8.76613 5.45718 7.70232 8.51501 7.42146 10.5934 numMergedOcc 0
12 mol 117 unq 2 iso 0 dist 8.76613 6.25846 7.4671 3.45896 7.78789 4.42665 numMergedOcc 0
13 mol 117 unq 3 iso 0 dist 8.76613 6.25846 7.4671 8.51501 7.42146 11.9806 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 5.09114 9.32745 8.88537 4.92712 4.42563 8.90201 numMergedOcc 0
15 mol 122 unq 1 iso 0 dist 5.09114 10.5529 9.23819 4.92712 4.42563 11.3935 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 8.72463 16.1752 7.78652 10.7652 8.99891 14.3396 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 8.72463 17.1567 8.91301 10.7652 8.99891 12.476 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 6.60477 5.44019 7.44629 7.42753 8.92592 5.71136 numMergedOcc 0
19 mol 168 unq 1 iso 0 dist 6.60477 5.44019 7.44629 5.47812 9.57452 5.46307 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 5.80867 6.42799 6.34616 6.36333 6.77156 4.73496 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 5.80867 6.42799 6.34616 3.69483 7.97894 4.97547 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 5.80867 6.42799 6.34616 9.0575 8.08471 5.92533 numMergedOcc 0
23 mol 198 unq 3 iso 0 dist 9.4363 10.4394 6.34616 13.9439 6.77156 4.73496 numMergedOcc 0
24 mol 198 unq 4 iso 0 dist 9.4363 10.4394 6.34616 11.1303 7.97894 4.97547 numMergedOcc 0
25 mol 198 unq 5 iso 0 dist 9.4363 10.4394 6.34616 5.89703 8.08471 5.92533 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 6.32652 7.65133 9.1458 5.43925 7.16758 4.79061 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 8.59262 14.201 7.75885 11.326 6.23183 9.36584 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 6.82185 10.6201 7.37798 7.38644 8.82761 15.5804 numMergedOcc 0
29 mol 213 unq 1 iso 0 dist 6.82185 5.50169 7.73322 7.38644 8.82761 6.78109 numMergedOcc 0
30 mol 213 unq 2 iso 0 dist 6.82881 5.50169 8.14332 7.85961 9.09354 13.1121 numMergedOcc 0
31 mol 213 unq 3 iso 0 dist 6.82881 5.50169 8.14332 7.38644 4.66576 6.78109 numMergedOcc 0
32 mol 218 unq 0 iso 0 dist 5.52981 5.3192 6.1951 8.95992 6.1896 5.34495 numMergedOcc 0
33 mol 218 unq 1 iso 0 dist 5.52981 5.3192 6.1951 6.50485 6.09255 3.83106 numMergedOcc 0
34 mol 231 unq 0 iso 0 dist 8.17766 6.62976 7.79066 8.26166 9.9868 10.5016 numMergedOcc 0
35 mol 231 unq 1 iso 0 dist 8.17766 6.62976 7.79066 9.74804 7.3268 4.02097 numMergedOcc 0
36 mol 231 unq 2 iso 0 dist 9.84965 5.74327 7.79066 6.84363 9.9868 10.5016 numMergedOcc 0
37 mol 231 unq 3 iso 0 dist 9.84965 5.74327 7.79066 8.52323 7.3268 4.02097 numMergedOcc 0
38 mol 265 unq 0 iso 0 dist 5.81421 9.59458 6.71375 3.55274 9.28128 12.6979 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 5.69465 11.7781 7.07965 7.17049 6.69619 8.31265 numMergedOcc 0
40 mol 292 unq 1 iso 0 dist 5.69465 11.7781 7.07965 7.97171 4.49592 5.06937 numMergedOcc 0
