0 mol 86 unq 0 iso 0 dist 9.81596 5.04914 8.42594 11.5897 10.2202 9.64554 10.1283 11.5605 5.59145 8.70136 numMergedOcc 0
1 mol 86 unq 1 iso 0 dist 9.81596 5.04914 8.42594 11.5897 10.2202 9.64554 8.02395 11.918 5.2597 7.53441 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 9.69413 5.22926 7.94379 8.48921 5.12529 8.6308 9.9082 13.0735 10.156 9.28585 numMergedOcc 0
3 mol 124 unq 0 iso 0 dist 8.45451 5.20968 8.03603 5.69775 5.26643 5.61764 3.89739 11.7109 8.00585 7.83509 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 7.74102 6.04744 9.82274 8.49611 5.32245 6.89564 8.81495 12.2067 7.55155 9.63488 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 7.74102 6.04744 9.82274 8.49611 5.32245 6.89564 5.17313 5.84909 10.3667 9.31907 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 6.25968 5.58691 6.00896 14.045 10.6104 9.21999 15.7788 15.9043 12.0027 9.49104 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.07154 11.5349 9.54774 15.518 8.8525 7.99446 16.8499 10.7371 9.43849 9.76275 numMergedOcc 0
8 mol 183 unq 0 iso 0 dist 6.23903 5.24086 9.84649 10.9979 9.01399 9.82833 10.9065 11.0442 8.72592 7.38821 numMergedOcc 0
9 mol 183 unq 1 iso 0 dist 8.39603 13.0499 9.84649 13.5932 9.01399 9.82833 10.7207 11.0442 8.72592 7.38821 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 8.27545 5.31675 5.83093 7.74423 5.21255 7.72242 11.9796 9.78743 9.99333 7.252 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 8.29033 12.4349 8.24741 18.9361 12.3913 9.05082 17.0036 10.7844 12.8829 8.10096 numMergedOcc 0
12 mol 226 unq 1 iso 0 dist 5.44698 11.1522 8.24741 15.7841 12.3913 9.05082 12.7673 10.7844 12.8829 8.10096 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 6.77267 11.0259 7.10828 10.0379 5.94643 8.01565 7.74816 4.53228 4.53635 8.68803 numMergedOcc 0
14 mol 256 unq 0 iso 0 dist 9.63091 11.974 9.92947 16.5192 10.2154 8.11884 9.58759 9.99628 4.19031 9.37687 numMergedOcc 0
