0 mol 28 unq 0 iso 0 dist 5.65894 5.65052 8.95552 8.02162 4.15828 8.92334 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.65894 13.6535 9.98522 19.8227 14.804 8.97167 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.65894 13.6535 9.98522 17.8509 12.5398 8.8182 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 6.83794 9.99082 8.95552 9.97227 4.15828 8.92334 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 6.83794 7.99283 9.98522 16.2039 14.804 8.97167 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 6.83794 7.99283 9.98522 14.9963 12.5398 8.8182 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.69203 5.076 6.75771 8.65429 3.8237 8.73053 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 8.69203 3.91897 5.90246 8.65429 3.8237 7.07087 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 9.14856 7.05519 7.7933 14.1776 9.90881 8.6701 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.67601 4.63063 8.49022 10.2907 8.62193 5.88827 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.67601 4.63063 8.49022 13.177 16.7825 9.66175 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 7.19209 7.94533 7.11852 9.98532 4.83307 5.60174 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 9.05357 5.12529 8.95044 5.28331 6.46537 7.01987 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.49888 10.8516 8.03691 18.338 11.6675 8.98028 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 7.20955 3.53549 9.53066 11.7397 13.7209 9.50113 numMergedOcc 0
15 mol 193 unq 1 iso 0 dist 7.20955 3.53549 9.53066 6.63784 6.11405 9.73679 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 8.7868 11.5364 7.49889 19.3044 13.7802 7.80646 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 4.64336 6.88745 7.49889 14.3695 13.7802 7.80646 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 8.60781 9.9943 9.89345 12.6716 12.4219 7.80646 numMergedOcc 0
19 mol 228 unq 0 iso 0 dist 9.58356 16.9383 8.2286 10.607 3.65229 9.45974 numMergedOcc 0
20 mol 228 unq 1 iso 0 dist 9.29522 17.1358 8.5965 10.223 3.62742 9.86348 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 9.79549 4.68809 5.98155 13.4825 3.70701 9.60384 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 9.69725 10.8006 5.98155 10.126 3.70701 9.60384 numMergedOcc 0
