0 mol 16 unq 0 iso 0 dist 7.979 6.36377 5.72175 4.78943 8.17898 5.05803 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.979 6.36377 5.72175 5.48395 10.6491 6.31718 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 7.96306 5.73067 7.46414 5.79134 8.80956 7.50293 numMergedOcc 0
3 mol 38 unq 1 iso 0 dist 7.96306 5.73067 7.46414 5.48241 12.4417 9.91611 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 7.10635 5.41493 8.85978 5.09229 10.0713 6.19529 numMergedOcc 0
5 mol 51 unq 0 iso 0 dist 8.55004 7.12423 13.4355 13.6102 18.5377 9.0709 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 5.41134 6.65344 6.34748 5.29688 9.05547 6.85766 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 5.41134 6.65344 6.34748 13.1729 13.5562 7.71095 numMergedOcc 0
8 mol 59 unq 2 iso 0 dist 9.41952 9.55751 8.94845 5.85228 6.46655 7.17396 numMergedOcc 0
9 mol 59 unq 3 iso 0 dist 9.23605 6.65344 13.0793 5.29688 12.9592 6.85766 numMergedOcc 0
10 mol 59 unq 4 iso 0 dist 9.23605 6.65344 13.0793 13.1729 19.6226 7.71095 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 6.71467 9.22002 10.8063 6.16737 10.755 6.65721 numMergedOcc 0
12 mol 61 unq 1 iso 0 dist 6.71467 7.52103 6.66385 6.16737 10.755 6.72123 numMergedOcc 0
13 mol 71 unq 0 iso 0 dist 8.39608 7.35142 5.87956 4.93292 8.21553 7.38797 numMergedOcc 0
14 mol 71 unq 1 iso 0 dist 7.28815 9.50139 5.87956 6.53623 8.21553 7.38797 numMergedOcc 0
15 mol 75 unq 0 iso 0 dist 5.01633 6.95595 5.56574 12.7957 13.0751 7.79912 numMergedOcc 0
16 mol 75 unq 1 iso 0 dist 5.01633 6.95595 5.56574 10.309 12.1692 8.56639 numMergedOcc 0
17 mol 75 unq 2 iso 0 dist 5.01633 6.95595 5.56574 5.80162 10.0315 8.59017 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.61312 6.58793 3.85308 10.1919 11.7729 7.95579 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 7.61312 6.58793 3.85308 9.21014 9.8682 6.19965 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 7.61312 6.58793 3.85308 7.83419 9.22376 7.66905 numMergedOcc 0
21 mol 86 unq 0 iso 0 dist 8.32885 8.88225 6.51657 8.73453 13.9582 9.5497 numMergedOcc 0
22 mol 86 unq 1 iso 0 dist 9.14653 9.49308 6.51657 10.7693 13.9582 9.5497 numMergedOcc 0
23 mol 88 unq 0 iso 0 dist 5.74637 7.74197 13.1838 4.0486 7.76275 9.36773 numMergedOcc 0
24 mol 88 unq 1 iso 0 dist 5.74637 7.86537 12.6939 4.0486 7.76275 8.31336 numMergedOcc 0
25 mol 95 unq 0 iso 0 dist 9.02302 9.65047 13.209 5.33325 10.2352 7.27724 numMergedOcc 0
26 mol 95 unq 1 iso 0 dist 9.02302 9.65047 13.209 5.69671 12.7489 8.03644 numMergedOcc 0
27 mol 101 unq 0 iso 0 dist 7.22737 5.22543 4.51951 4.50603 10.0014 6.57035 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 14.5776 10.1938 8.54584 numMergedOcc 0
29 mol 132 unq 0 iso 0 dist 9.00166 8.7366 6.04014 4.90475 6.2403 7.7059 numMergedOcc 0
30 mol 132 unq 1 iso 0 dist 7.16287 8.7366 10.0823 4.90475 6.495 7.7059 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 4.69402 5.86531 6.25005 6.26797 10.4155 7.11802 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 4.69402 5.86531 6.25005 9.73435 11.4588 8.00618 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 7.97183 5.96555 4.25942 4.6995 9.82156 6.03031 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 7.97183 5.96555 4.25942 10.7091 10.4618 7.26832 numMergedOcc 0
35 mol 205 unq 2 iso 0 dist 7.97183 5.96555 4.25942 5.87892 9.3629 7.80463 numMergedOcc 0
36 mol 210 unq 0 iso 0 dist 5.33103 8.62103 11.5481 3.84723 6.53736 6.18308 numMergedOcc 0
37 mol 210 unq 1 iso 0 dist 9.01301 8.62103 8.72811 3.84723 8.18851 6.18308 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 7.1951 4.84709 3.99247 4.55245 10.8385 8.82096 numMergedOcc 0
39 mol 220 unq 0 iso 0 dist 8.65468 7.16386 9.18673 9.02283 16.5614 9.41367 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 9.87685 9.07872 17.4802 9.9474 19.7156 7.09863 numMergedOcc 0
41 mol 229 unq 0 iso 0 dist 5.75755 8.6537 12.696 8.65216 14.4018 8.22528 numMergedOcc 0
42 mol 229 unq 1 iso 0 dist 5.75755 8.6537 12.696 10.7439 15.825 7.03423 numMergedOcc 0
43 mol 229 unq 2 iso 0 dist 5.75755 5.57702 6.44004 6.21233 9.87839 9.87838 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 9.24066 7.46434 7.87385 13.0285 15.1742 8.41436 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 9.24066 7.46434 7.87385 13.9912 16.4929 8.92474 numMergedOcc 0
46 mol 236 unq 0 iso 0 dist 8.20542 5.66569 10.2557 11.2013 9.97357 9.99038 numMergedOcc 0
47 mol 236 unq 1 iso 0 dist 8.20542 5.66569 10.2557 4.15973 6.36941 6.27581 numMergedOcc 0
48 mol 236 unq 2 iso 0 dist 5.6568 6.11137 6.49831 15.1664 16.3801 9.99038 numMergedOcc 0
49 mol 236 unq 3 iso 0 dist 5.6568 6.11137 6.49831 9.01197 12.2331 6.27581 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 9.29888 9.13537 9.76195 10.3859 15.3066 6.57393 numMergedOcc 0
51 mol 241 unq 0 iso 0 dist 8.96917 9.10633 8.4988 7.20238 12.445 7.4631 numMergedOcc 0
52 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 6.48867 14.0712 6.60405 numMergedOcc 0
53 mol 258 unq 1 iso 0 dist 9.52903 5.73834 9.78068 7.52881 8.81059 6.42289 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 15.3806 13.6279 7.46176 numMergedOcc 0
55 mol 272 unq 0 iso 0 dist 7.38085 9.64596 4.78295 5.26991 8.82094 8.48753 numMergedOcc 0
56 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 10.8075 8.35794 9.7748 numMergedOcc 0
