0 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 6.09937 7.28643 8.68293 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.89666 4.73237 4.61088 9.94905 9.68636 6.84216 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 8.6586 6.7846 8.23075 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 13.2236 8.03955 4.7841 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.87281 6.17631 7.31767 11.3003 7.23535 7.03372 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 7.63928 6.17631 6.03987 11.3003 9.92243 7.03372 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 6.88695 5.3315 8.34347 11.2671 12.5438 7.98005 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 7.89667 8.39015 8.31381 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 14.8727 9.86609 7.39848 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.2377 4.99283 5.93252 10.0651 3.85805 9.10566 numMergedOcc 0
10 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 11.2061 4.74027 9.16597 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 6.4551 8.78063 6.97941 6.46582 3.69293 7.61521 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 14.0035 8.37717 9.01812 numMergedOcc 0
13 mol 101 unq 0 iso 0 dist 5.22543 4.50603 6.57035 10.7133 7.89838 9.23765 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 9.86767 13.0914 9.59585 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 8.89481 4.36935 5.86073 12.94 12.5818 9.7073 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 7.04864 6.81949 6.44653 11.0505 5.61274 7.53694 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 7.04864 6.81949 6.44653 8.03124 3.35803 8.38358 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 13.884 12.7606 5.39356 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 9.42513 8.60326 9.30299 12.5636 12.6193 9.92746 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 13.8709 11.6692 8.80895 numMergedOcc 0
21 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 9.44592 6.85721 5.77186 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 9.3894 4.84607 6.5107 4.82356 6.12885 5.78814 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 10.5624 6.75249 8.64905 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 14.986 9.73449 7.55934 numMergedOcc 0
25 mol 180 unq 0 iso 0 dist 9.88732 6.54937 9.62337 7.58661 4.38407 9.63576 numMergedOcc 0
26 mol 180 unq 1 iso 0 dist 5.77949 6.91082 9.62337 5.81023 4.38407 9.63576 numMergedOcc 0
27 mol 180 unq 2 iso 0 dist 8.68403 10.1423 9.62337 7.80553 4.38407 9.63576 numMergedOcc 0
28 mol 180 unq 3 iso 0 dist 5.80441 9.82186 9.62337 9.87378 4.38407 9.63576 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 16.1999 13.3822 7.13783 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 6.752 4.2475 7.45763 8.93485 5.42503 9.31158 numMergedOcc 0
31 mol 205 unq 2 iso 0 dist 5.4913 6.8901 7.45763 5.66636 5.42503 9.31158 numMergedOcc 0
32 mol 210 unq 0 iso 0 dist 8.62103 3.84723 6.18308 9.25184 4.29623 6.85824 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 4.90656 8.89157 5.1609 numMergedOcc 0
34 mol 231 unq 0 iso 0 dist 8.01942 8.55683 8.40182 17.3809 17.7601 9.9868 numMergedOcc 0
35 mol 231 unq 1 iso 0 dist 8.01942 8.55683 8.40182 13.9064 10.3815 7.3268 numMergedOcc 0
36 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 11.6863 4.04428 8.25985 numMergedOcc 0
37 mol 232 unq 1 iso 0 dist 9.29752 9.60401 8.27212 12.0387 4.22149 9.27788 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 8.48065 5.23741 5.4638 8.1174 4.75609 8.08965 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 6.42725 8.70769 5.30224 9.9749 5.96249 9.18798 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 6.42725 8.70769 5.30224 6.69951 5.97386 8.25897 numMergedOcc 0
41 mol 265 unq 0 iso 0 dist 9.772 5.75478 8.4218 5.8898 7.71667 5.7944 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 11.8576 4.24652 9.83622 numMergedOcc 0
43 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 5.11998 7.75371 5.69112 numMergedOcc 0
44 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 5.79925 11.3546 7.2091 numMergedOcc 0
45 mol 292 unq 0 iso 0 dist 9.30668 8.04474 8.2734 11.1568 4.02751 6.69619 numMergedOcc 0
46 mol 292 unq 1 iso 0 dist 9.30668 8.04474 8.2734 10.2196 5.99797 4.49592 numMergedOcc 0
