0 mol 43 unq 0 iso 0 dist 8.06275 9.83489 8.03754 12.4032 9.69698 7.67459 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 14.6778 8.03754 17.4249 9.69698 7.67459 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 7.62383 12.4883 8.97965 14.2894 7.60951 8.03504 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 7.62383 12.4883 8.97965 19.1234 13.3483 7.87739 numMergedOcc 0
4 mol 55 unq 2 iso 0 dist 6.81152 8.95606 6.65254 14.3349 8.38443 8.03504 numMergedOcc 0
5 mol 55 unq 3 iso 0 dist 6.81152 8.95606 6.65254 13.7385 9.41439 7.87739 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 5.9651 8.88456 9.40333 9.25184 9.32604 5.48997 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 6.77833 5.81368 9.74802 11.7814 11.1155 7.66362 numMergedOcc 0
8 mol 70 unq 1 iso 0 dist 9.83265 3.88245 9.74802 10.098 11.1155 7.66362 numMergedOcc 0
9 mol 89 unq 0 iso 0 dist 8.56124 11.2044 9.6629 9.23765 4.77072 6.86861 numMergedOcc 0
10 mol 89 unq 1 iso 0 dist 8.56124 11.2044 9.6629 13.475 9.70567 9.1784 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 6.99793 5.0271 8.14429 5.37661 4.24853 8.75093 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.66715 16.6927 9.1146 20 15.3123 9.82274 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.66715 16.6927 9.1146 13.0039 10.4303 9.02712 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 8.95433 4.42593 9.1146 11.684 15.3123 9.82274 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 8.95433 4.42593 9.1146 6.56224 10.4303 9.02712 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.34839 8.6893 8.41774 13.191 9.50073 9.27341 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 8.14644 5.41585 5.39218 12.8957 13.0808 9.57625 numMergedOcc 0
18 mol 267 unq 0 iso 0 dist 7.94474 4.50603 9.44648 7.42127 6.40111 5.72144 numMergedOcc 0
19 mol 267 unq 1 iso 0 dist 7.94474 4.50603 9.44648 6.40976 5.75453 6.79491 numMergedOcc 0
