0 mol 0 unq 0 iso 0 dist 9.5614 5.25456 7.15528 7.79534 9.46298 7.40865 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.55156 7.1599 7.15528 11.0073 9.46298 7.40865 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 12.916 12.0193 5.99972 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 5.83658 10.826 9.60499 9.89388 6.55304 6.7985 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 5.83658 10.826 9.60499 14.2616 12.2869 6.44736 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 9.47321 5.91584 8.57077 14.7729 9.5997 9.62394 numMergedOcc 0
6 mol 11 unq 0 iso 0 dist 9.23212 7.86896 4.61088 12.8782 6.86684 5.96346 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 9.04834 6.05535 4.7319 5.36911 6.51133 6.72833 numMergedOcc 0
8 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 5.36911 5.30082 6.93532 numMergedOcc 0
9 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 10.7145 6.01808 6.41575 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 8.18518 14.1404 8.4674 12.8718 9.74255 8.40416 numMergedOcc 0
11 mol 19 unq 2 iso 0 dist 8.18518 6.57145 4.54938 12.8718 9.74255 7.75618 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 13.4332 6.66749 9.41441 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 6.35095 5.76725 5.54419 9.89331 5.11617 8.4051 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 6.35095 5.76725 5.54419 10.5391 13.1779 8.23446 numMergedOcc 0
15 mol 24 unq 3 iso 0 dist 6.35095 5.76725 5.54419 14.084 10.8238 8.75662 numMergedOcc 0
16 mol 24 unq 4 iso 0 dist 5.87895 5.75653 7.36323 14.0475 13.2229 8.4051 numMergedOcc 0
17 mol 24 unq 5 iso 0 dist 5.87895 5.75653 7.36323 7.06532 6.38336 8.23446 numMergedOcc 0
18 mol 24 unq 6 iso 0 dist 5.87895 5.75653 7.36323 11.0714 6.7828 8.75662 numMergedOcc 0
19 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 11.6867 5.77929 8.87757 numMergedOcc 0
20 mol 60 unq 0 iso 0 dist 8.8058 10.0675 8.7531 8.04272 7.04075 9.90939 numMergedOcc 0
21 mol 64 unq 0 iso 0 dist 9.10915 9.73304 9.67592 12.219 6.21578 9.97159 numMergedOcc 0
22 mol 64 unq 1 iso 0 dist 8.66921 10.8918 9.67592 14.1509 6.21578 9.97159 numMergedOcc 0
23 mol 64 unq 2 iso 0 dist 5.54343 5.59762 9.67592 9.23947 6.21578 9.97159 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 10.9561 6.56633 9.24757 numMergedOcc 0
25 mol 73 unq 1 iso 0 dist 5.79954 12.8388 9.96396 6.66506 5.11416 9.24757 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 7.01889 15.0744 9.96396 11.8962 5.11416 9.24757 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 14.407 13.5116 9.82915 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 9.04728 4.65335 7.54568 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 9.22376 9.77828 5.73196 9.04728 4.65335 9.39864 numMergedOcc 0
30 mol 95 unq 0 iso 0 dist 9.40559 11.8978 8.03644 19.4788 11.4333 9.49454 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 12.7644 7.11701 7.38135 numMergedOcc 0
32 mol 114 unq 0 iso 0 dist 9.24515 5.24877 7.5732 11.4347 7.436 6.84011 numMergedOcc 0
33 mol 115 unq 0 iso 0 dist 8.35604 5.3967 5.11551 11.0607 6.77806 6.92026 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 8.35604 11.9798 7.11972 11.0607 6.77806 5.88249 numMergedOcc 0
35 mol 115 unq 2 iso 0 dist 7.83568 7.10772 5.11551 13.3321 6.77806 6.92026 numMergedOcc 0
36 mol 115 unq 3 iso 0 dist 7.83568 11.3906 7.11972 13.3321 6.77806 5.88249 numMergedOcc 0
37 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 11.6949 10.4376 8.00003 numMergedOcc 0
38 mol 125 unq 0 iso 0 dist 9.63302 6.06241 8.62381 7.00113 7.43922 7.73435 numMergedOcc 0
39 mol 125 unq 1 iso 0 dist 9.63302 6.06241 8.62381 9.85979 11.0769 9.3778 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 10.8422 5.29786 6.23142 numMergedOcc 0
41 mol 134 unq 1 iso 0 dist 5.67862 12.4156 9.71307 10.8422 5.29786 9.94764 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 7.97208 12.5576 6.54501 10.8422 5.71679 7.69991 numMergedOcc 0
43 mol 134 unq 3 iso 0 dist 7.97208 9.52819 6.49416 10.8422 5.71679 6.23142 numMergedOcc 0
44 mol 143 unq 0 iso 0 dist 5.30872 6.3915 5.99315 9.99577 6.48978 7.78652 numMergedOcc 0
45 mol 143 unq 1 iso 0 dist 5.30872 6.3915 5.99315 10.2769 5.20762 8.91301 numMergedOcc 0
46 mol 167 unq 0 iso 0 dist 7.83781 6.43506 9.87651 14.8898 13.0123 9.67741 numMergedOcc 0
47 mol 175 unq 0 iso 0 dist 6.6776 7.42609 6.57069 8.79832 8.29015 9.77896 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 9.07833 9.54619 9.09537 10.7347 12.9468 9.72611 numMergedOcc 0
49 mol 181 unq 1 iso 0 dist 9.07833 9.54619 9.09537 15.4694 10.09 7.99195 numMergedOcc 0
50 mol 181 unq 2 iso 0 dist 9.63295 12.5935 7.63312 17.0911 12.5387 5.94469 numMergedOcc 0
51 mol 182 unq 0 iso 0 dist 9.36307 9.72559 9.31746 13.0317 7.68794 6.73956 numMergedOcc 0
52 mol 182 unq 1 iso 0 dist 9.36307 9.72559 9.31746 14.8787 9.37404 7.09394 numMergedOcc 0
53 mol 204 unq 0 iso 0 dist 7.7292 9.54287 8.51516 8.82861 5.86489 7.32294 numMergedOcc 0
54 mol 210 unq 0 iso 0 dist 8.07523 13.3929 6.18308 12.8837 5.87279 7.10826 numMergedOcc 0
55 mol 210 unq 1 iso 0 dist 7.56882 12.3088 6.18308 10.5315 5.87279 7.10826 numMergedOcc 0
56 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 7.46122 7.11498 6.59716 numMergedOcc 0
57 mol 231 unq 0 iso 0 dist 9.98232 10.9863 7.37839 13.7652 6.37275 6.98875 numMergedOcc 0
58 mol 231 unq 1 iso 0 dist 9.98232 10.2117 8.40182 13.7652 6.37275 6.54852 numMergedOcc 0
59 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 9.78197 4.9377 9.40808 numMergedOcc 0
60 mol 238 unq 0 iso 0 dist 7.98022 6.3873 5.72887 12.3944 14.7883 9.24557 numMergedOcc 0
61 mol 239 unq 0 iso 0 dist 9.26156 7.10801 7.00034 13.1014 10.0842 9.01021 numMergedOcc 0
62 mol 239 unq 1 iso 0 dist 9.27989 12.1502 6.16342 12.9792 4.30299 8.84636 numMergedOcc 0
63 mol 241 unq 0 iso 0 dist 6.40592 7.93809 7.4631 10.2312 4.45049 7.89524 numMergedOcc 0
64 mol 261 unq 0 iso 0 dist 7.15785 6.5875 8.02547 11.3138 5.91643 8.43974 numMergedOcc 0
65 mol 261 unq 1 iso 0 dist 9.43169 6.5875 6.05727 11.3138 5.02383 8.43974 numMergedOcc 0
66 mol 282 unq 0 iso 0 dist 8.58671 8.13794 8.04483 13.3375 5.65568 9.0975 numMergedOcc 0
67 mol 282 unq 1 iso 0 dist 6.84554 9.67023 8.76532 14.0832 8.12478 9.0975 numMergedOcc 0
68 mol 282 unq 2 iso 0 dist 9.51581 9.67023 6.33524 14.0832 5.0324 9.0975 numMergedOcc 0
