0 mol 10 unq 0 iso 0 dist 9.09015 7.70383 3.3748 10.2264 8.3613 9.33141 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.70383 9.09015 3.3748 10.2264 9.33141 8.3613 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.72036 9.3718 9.30704 14.3492 9.02471 17.3894 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 6.29267 9.64361 9.02602 4.98967 5.25027 11.0995 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.56288 5.97559 2.58673 7.72238 7.69926 5.85237 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 5.97559 6.56288 2.58673 7.72238 5.85237 7.69926 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 5.97559 6.56288 2.58673 14.2934 9.11768 9.7173 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 9.27814 8.15861 16.3912 13.4816 9.01812 18.405 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 8.51084 5.53271 8.72808 4.41283 9.06601 5.98809 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 5.53271 8.51084 8.72808 4.41283 5.98809 9.06601 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 5.39792 8.44206 5.26524 5.0256 7.53694 8.38358 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 8.44206 5.39792 5.26524 5.0256 8.38358 7.53694 numMergedOcc 0
12 mol 120 unq 2 iso 0 dist 7.00542 9.78884 5.26524 8.66137 7.53694 8.38358 numMergedOcc 0
13 mol 120 unq 3 iso 0 dist 9.78884 7.00542 5.26524 8.66137 8.38358 7.53694 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 7.42696 5.86468 11.7423 13.0751 8.95136 18.8005 numMergedOcc 0
15 mol 184 unq 1 iso 0 dist 7.42696 8.73302 9.91264 13.0751 8.95136 17.6251 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 4.55528 4.42095 3.78714 9.45062 9.52922 11.7672 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 4.42095 4.55528 3.78714 10.8182 9.38984 13.001 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 4.42095 4.55528 3.78714 10.0354 9.91118 13.1712 numMergedOcc 0
19 mol 194 unq 3 iso 0 dist 6.88386 4.63898 3.78714 10.6236 9.52922 11.7672 numMergedOcc 0
20 mol 194 unq 4 iso 0 dist 4.63898 6.88386 3.78714 7.58286 9.38984 13.001 numMergedOcc 0
21 mol 194 unq 5 iso 0 dist 4.63898 6.88386 3.78714 9.53373 9.91118 13.1712 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 9.08818 8.5163 7.80024 6.75711 6.1896 11.1326 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 5.65735 8.52735 8.44761 4.41663 8.40074 12.3169 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 5.77565 6.32853 5.57024 4.68199 8.12739 6.09853 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 6.32853 5.77565 5.57024 4.68199 6.09853 8.12739 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 5.18334 8.81999 12.3466 9.07177 7.56669 17.6859 numMergedOcc 0
27 mol 294 unq 1 iso 0 dist 5.18334 4.83062 4.59062 9.07177 7.56669 9.25084 numMergedOcc 0
28 mol 294 unq 2 iso 0 dist 6.44588 8.65363 4.59062 5.08625 7.56669 9.25084 numMergedOcc 0
