0 mol 43 unq 0 iso 0 dist 8.21247 5.39546 6.6263 12.2906 6.75943 8.13395 10.0804 5.41726 8.80331 6.20293 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.21247 12.2906 6.75943 5.39546 6.6263 8.13395 12.7934 4.96926 5.73819 10.5523 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.21247 12.2906 6.75943 5.39546 6.6263 8.13395 10.0804 5.41726 6.20293 8.80331 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.21247 12.2906 6.75943 5.39546 6.6263 8.13395 16.4102 10.0383 8.93915 14.7803 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.79061 4.78435 9.73086 6.33833 7.4369 5.4148 11.6724 5.70116 9.96396 6.19304 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.79061 4.78435 9.73086 6.33833 7.4369 5.4148 10.2786 17.4121 9.38498 10.2049 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.79061 4.78435 9.73086 6.33833 7.4369 5.4148 14.5091 14.844 9.75218 11.6369 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 9.79061 6.33833 7.4369 4.78435 9.73086 5.4148 11.6724 5.70116 6.19304 9.96396 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 8.40461 5.28089 6.89918 4.50065 7.89457 4.35917 11.9102 12.9631 7.7059 11.5751 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.73668 11.9734 9.1998 14.5913 6.42772 11.6064 17.0494 12.8086 9.86662 15.281 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.73668 11.9734 9.1998 14.5913 6.42772 11.6064 20.0191 15.0225 9.71307 15.6507 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.73668 11.9734 9.1998 5.57177 8.70621 7.09823 17.0494 12.8086 9.86662 14.0375 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.73668 11.9734 9.1998 5.57177 8.70621 7.09823 20.0191 15.0225 9.71307 15.9508 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 9.47168 6.67469 9.2289 5.74656 7.68266 4.70068 9.06133 12.0033 9.87651 12.4733 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 9.47168 6.67469 9.2289 11.2312 7.6616 10.3445 9.06133 12.0033 9.87651 17.5366 numMergedOcc 0
15 mol 167 unq 2 iso 0 dist 9.76579 6.67469 7.02548 5.74656 6.84752 4.70068 9.06133 11.6011 9.87651 12.4733 numMergedOcc 0
16 mol 167 unq 3 iso 0 dist 9.76579 6.67469 7.02548 11.2312 7.86563 10.3445 9.06133 11.6011 9.87651 17.5366 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 9.66676 6.45787 9.51256 11.4871 9.08274 8.56034 9.32245 4.78249 9.76807 12.8281 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 5.97971 10.8374 9.01624 4.62576 5.05973 11.5866 7.7544 5.71898 7.81386 9.81747 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 5.97971 10.8374 9.01624 4.62576 5.05973 11.5866 11.1074 5.93724 7.63312 9.11469 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 8.72747 11.9541 9.01624 4.80932 5.05973 11.5866 11.7328 5.71898 7.81386 9.81747 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 8.72747 11.9541 9.01624 4.80932 5.05973 11.5866 12.2168 5.93724 7.63312 9.11469 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 8.23845 8.672 9.01624 6.42223 5.05973 11.5866 9.88721 5.71898 7.81386 9.81747 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 8.23845 8.672 9.01624 6.42223 5.05973 11.5866 10.8515 5.93724 7.63312 9.11469 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.565 6.57808 8.08349 6.64754 9.78218 10.3613 10.2007 5.13732 6.61986 13.4025 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 5.52788 10.313 9.12776 7.04671 9.72188 15.7907 14.2408 10.3162 7.31233 19.5656 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 5.52788 7.04671 9.72188 10.313 9.12776 15.7907 4.80834 7.06793 5.72887 14.6111 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 9.993 13.3838 6.73665 16.5315 9.34438 11.347 17.0305 10.6736 6.16342 16.5158 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 9.993 13.3838 6.73665 10.3956 9.35949 7.97994 17.0305 10.6736 6.16342 13.7154 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 9.64781 11.5813 8.38121 5.08702 9.90967 11.8061 18.7907 14.179 8.2734 17.2013 numMergedOcc 0
