0 mol 25 unq 0 iso 0 dist 9.33067 12.2556 7.52933 12.0376 5.03027 5.04899 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.21247 5.39546 6.6263 10.0804 5.41726 8.80331 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.21247 12.2906 6.75943 12.7934 4.96926 5.73819 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.21247 12.2906 6.75943 10.0804 5.41726 6.20293 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.21247 12.2906 6.75943 16.4102 10.0383 8.93915 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.79061 4.78435 9.73086 11.6724 5.70116 9.96396 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.79061 4.78435 9.73086 10.2786 17.4121 9.38498 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.79061 4.78435 9.73086 14.5091 14.844 9.75218 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.79061 6.33833 7.4369 11.6724 5.70116 6.19304 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.84768 4.75197 7.69765 9.26923 10.3209 7.30858 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 7.84768 4.75197 7.69765 7.9258 4.48636 5.83991 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 7.84768 4.75197 7.69765 12.4685 11.835 7.88312 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 8.40461 5.28089 6.89918 11.9102 12.9631 7.7059 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.89346 9.42084 7.22643 10.229 6.9945 8.22656 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.89346 9.42084 7.22643 11.7793 4.19723 6.82262 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 8.88752 10.9364 8.77023 17.1647 13.0405 6.29155 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 8.88752 10.9364 8.77023 14.4401 13.7612 6.80239 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 8.88752 10.9364 8.77023 11.7499 15.0115 8.00618 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.73668 11.9734 9.1998 17.0494 12.8086 9.86662 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.73668 11.9734 9.1998 20.0191 15.0225 9.71307 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 8.99128 14.7612 8.97626 17.1751 9.16779 7.46303 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 8.99128 14.7612 8.97626 12.9795 4.91785 6.43582 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 9.47168 6.67469 9.2289 9.06133 12.0033 9.87651 numMergedOcc 0
23 mol 167 unq 1 iso 0 dist 9.76579 6.67469 7.02548 9.06133 11.6011 9.87651 numMergedOcc 0
24 mol 170 unq 0 iso 0 dist 9.66676 6.45787 9.51256 9.32245 4.78249 9.76807 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 5.97971 10.8374 9.01624 7.7544 5.71898 7.81386 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 5.97971 10.8374 9.01624 11.1074 5.93724 7.63312 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 8.72747 11.9541 9.01624 11.7328 5.71898 7.81386 numMergedOcc 0
28 mol 181 unq 3 iso 0 dist 8.72747 11.9541 9.01624 12.2168 5.93724 7.63312 numMergedOcc 0
29 mol 181 unq 4 iso 0 dist 8.23845 8.672 9.01624 9.88721 5.71898 7.81386 numMergedOcc 0
30 mol 181 unq 5 iso 0 dist 8.23845 8.672 9.01624 10.8515 5.93724 7.63312 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 7.99441 9.84386 5.56538 8.86173 6.84862 7.21333 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 6.71817 9.84386 7.48954 8.86173 9.53117 7.21333 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 8.565 6.57808 8.08349 10.2007 5.13732 6.61986 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 5.52788 10.313 9.12776 14.2408 10.3162 7.31233 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 5.52788 7.04671 9.72188 4.80834 7.06793 5.72887 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 9.993 13.3838 6.73665 17.0305 10.6736 6.16342 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 9.63325 16.264 7.20674 16.0338 7.8414 8.2734 numMergedOcc 0
38 mol 292 unq 1 iso 0 dist 9.64781 11.5813 8.38121 18.7907 14.179 8.2734 numMergedOcc 0
