0 mol 0 unq 0 iso 0 dist 8.82102 12.7597 9.19007 10.1748 6.0225 6.94943 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.90845 13.3639 6.72502 10.1898 5.11636 8.24948 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.80741 4.7418 8.63486 6.54758 6.15355 5.07125 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.48625 13.5596 8.64015 11.5247 6.08003 7.17026 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.93344 7.61116 7.9814 14.3434 5.74372 9.45329 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.02288 6.28525 8.03303 13.3855 8.96557 7.69861 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.58544 5.32605 8.03303 10.2244 8.96557 7.69861 numMergedOcc 0
7 mol 126 unq 0 iso 0 dist 9.54928 12.3511 9.46588 17.9423 10.7549 8.66815 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.97145 13.3078 9.29384 16.389 12.6005 6.78801 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 6.5874 10.6416 9.29384 16.2309 12.6005 6.78801 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.42756 8.81081 6.69515 14.8503 13.2918 6.77921 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 8.89982 10.4193 9.77552 14.5979 12.4535 6.92726 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.0974 5.49143 4.92088 6.95432 6.42973 8.25282 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.66381 12.2047 9.83476 13.6537 13.6744 7.04815 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 7.66381 12.2047 9.83476 17.3055 15.0914 6.07389 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 9.24118 11.8438 8.57261 17.3968 9.71636 7.79115 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 7.32478 14.1302 8.83356 15.8437 10.463 5.53324 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 7.32478 14.1302 8.83356 11.7627 4.66791 6.72182 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 9.48439 13.752 8.83356 14.6731 10.463 5.53324 numMergedOcc 0
19 mol 194 unq 3 iso 0 dist 9.48439 13.752 8.83356 13.5824 4.66791 6.72182 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 6.47339 10.1932 8.10985 14.1952 9.76488 8.8864 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 6.47339 10.1932 8.10985 12.1617 6.0599 8.12201 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 6.47339 10.1932 8.10985 9.05897 6.05382 5.45162 numMergedOcc 0
23 mol 207 unq 0 iso 0 dist 5.08312 9.2787 7.96797 6.06003 4.56899 8.78061 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 9.17826 7.69431 8.03442 11.1592 5.0317 9.43618 numMergedOcc 0
25 mol 230 unq 0 iso 0 dist 8.49299 11.9554 6.41286 17.5317 9.70574 7.07833 numMergedOcc 0
26 mol 251 unq 0 iso 0 dist 9.94161 13.5693 8.01198 13.8952 4.86046 6.42747 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 9.73021 7.37634 7.50201 4.54745 7.40852 5.9974 numMergedOcc 0
