0 mol 68 unq 0 iso 0 dist 8.44761 6.09085 5.75753 7.51631 3.56619 7.18877 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 6.81124 6.09085 5.26311 7.51631 6.23171 7.18877 numMergedOcc 0
2 mol 68 unq 2 iso 0 dist 6.27321 6.72469 7.71726 4.9983 3.99506 3.74917 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.64736 7.10218 12.669 5.98764 14.0777 10.145 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.14674 6.99586 6.48115 4.55309 3.79182 7.54661 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.4204 7.84956 12.8132 8.6356 15.3665 3.62998 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.4204 8.57607 15.7954 8.6356 15.3665 8.96713 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 8.4204 6.1991 10.4348 8.6356 15.3665 10.6694 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 8.4204 5.96246 5.88327 8.6356 15.3665 10.3539 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 9.95168 6.78833 8.8442 7.12662 10.5341 3.58393 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 9.95168 6.78833 8.8442 9.38 15.3866 7.73275 numMergedOcc 0
11 mol 128 unq 2 iso 0 dist 4.89256 6.6014 5.91388 7.66528 6.30769 8.3147 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 7.35647 9.47287 10.5637 6.90456 3.90693 6.99182 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 8.27017 9.71155 10.518 8.7019 9.00581 5.34959 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 8.59976 8.89822 7.33583 7.07933 5.68902 3.59996 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 9.71763 8.89822 3.95773 7.07933 3.83687 3.59996 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 9.98096 4.79971 4.56877 numMergedOcc 0
17 mol 184 unq 1 iso 0 dist 6.71675 8.33147 3.7949 8.24035 5.05856 6.68311 numMergedOcc 0
18 mol 184 unq 2 iso 0 dist 6.71675 8.33147 3.7949 8.77932 5.69882 3.88698 numMergedOcc 0
19 mol 184 unq 3 iso 0 dist 6.71675 8.09403 4.67256 9.98096 4.79971 8.73 numMergedOcc 0
20 mol 184 unq 4 iso 0 dist 6.71675 8.09403 4.67256 8.24035 5.05856 9.71065 numMergedOcc 0
21 mol 184 unq 5 iso 0 dist 6.71675 8.09403 4.67256 8.77932 5.69882 3.30691 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 6.19189 6.04336 3.78314 9.6283 5.70845 5.4547 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 6.19189 9.00537 4.03697 9.6283 5.70845 8.85948 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 8.34668 8.9388 4.03697 8.86574 15.131 16.2492 numMergedOcc 0
25 mol 186 unq 3 iso 0 dist 8.76308 8.9388 14.8715 8.86574 5.39534 16.2492 numMergedOcc 0
26 mol 195 unq 0 iso 0 dist 5.0778 8.08491 5.60628 9.33055 9.70528 5.60873 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 6.90717 5.56977 3.91276 6.26596 4.05067 5.22858 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 4.76698 8.19223 12.3914 4.54064 3.60349 9.98348 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 8.31182 7.30349 10.0756 7.96613 14.8481 13.6742 numMergedOcc 0
30 mol 270 unq 0 iso 0 dist 6.97639 9.97694 9.62847 8.93961 9.06597 3.11108 numMergedOcc 0
31 mol 270 unq 1 iso 0 dist 6.97639 9.97694 9.62847 7.96508 6.72549 15.3195 numMergedOcc 0
