0 mol 18 unq 0 iso 0 dist 5.03976 9.7728 9.14029 10.3745 8.80193 7.94376 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.13638 9.57292 6.13897 4.35705 7.6481 10.9529 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.07958 8.51839 6.5311 6.19026 7.46994 11.954 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.46478 8.15861 10.803 4.32784 6.05495 8.04853 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 7.46478 9.27814 14.0177 4.32784 6.05495 10.3185 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 9.02541 6.33923 11.4065 11.296 9.10794 16.6071 numMergedOcc 0
6 mol 111 unq 1 iso 0 dist 9.02541 9.9801 10.4026 11.296 9.10794 18.2419 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 6.32393 9.44 5.09579 13.0372 7.33541 9.03527 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 6.32393 8.47634 5.46299 13.0372 7.33541 9.60837 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 7.6461 5.86693 5.72856 9.90045 5.26989 10.4812 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 7.6461 5.86693 5.72856 10.0807 7.76442 11.7399 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 7.63085 6.51748 5.30823 6.99918 9.6096 4.6512 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 4.54491 7.42696 8.33772 6.01155 6.44904 12.7555 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 4.54491 5.86468 3.88336 6.01155 6.44904 5.12964 numMergedOcc 0
14 mol 184 unq 2 iso 0 dist 4.54491 8.73302 7.34488 6.01155 6.44904 12.4906 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 7.55974 7.00382 6.54455 5.48326 8.97471 8.2241 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 8.80672 9.60981 11.7364 10.1877 7.10526 17.2199 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 8.80672 7.15344 6.68247 10.1877 7.10526 11.8881 numMergedOcc 0
18 mol 204 unq 2 iso 0 dist 8.80672 9.98617 7.51762 10.1877 7.10526 13.0568 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.28273 9.2684 11.7541 6.33919 9.71152 7.63543 numMergedOcc 0
