0 mol 11 unq 0 iso 0 dist 5.40468 7.16699 6.83186 11.6776 6.51674 9.81983 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.61183 14.3151 8.25818 10.9641 9.63925 7.85986 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.73053 8.52974 9.48125 10.3173 9.92713 9.95093 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 7.07087 5.27925 9.48125 10.5841 9.92713 9.95093 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 7.44805 6.81182 3.77542 6.02472 3.57198 5.53419 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.55284 6.25072 5.54472 8.50475 3.50984 6.28603 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 9.55284 3.72926 8.62369 8.50475 3.50984 8.80303 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 9.55284 8.48678 6.5241 8.50475 3.50984 7.11491 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 7.33788 3.85292 4.22002 7.66163 5.39812 7.11491 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 9.74351 3.85292 8.10774 7.66163 3.59761 7.11491 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 7.36877 6.64874 5.54472 7.66163 3.50984 6.28603 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 7.36877 5.68077 8.62369 7.66163 3.50984 8.80303 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 7.36877 3.85292 6.5241 7.66163 3.50984 7.11491 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 8.52681 6.44604 4.22002 9.48288 5.39812 7.11491 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 9.98769 6.44604 8.10774 9.48288 3.59761 7.11491 numMergedOcc 0
15 mol 48 unq 10 iso 0 dist 7.90416 9.165 9.05737 8.82709 7.06935 8.40186 numMergedOcc 0
16 mol 48 unq 11 iso 0 dist 9.21776 3.72746 8.14245 7.1796 3.60121 7.1829 numMergedOcc 0
17 mol 48 unq 12 iso 0 dist 6.89752 6.42565 5.37439 7.1796 3.65036 5.73454 numMergedOcc 0
18 mol 48 unq 13 iso 0 dist 6.89752 5.7824 8.3714 7.1796 3.65036 8.2012 numMergedOcc 0
19 mol 48 unq 14 iso 0 dist 6.89752 3.72746 6.36817 7.1796 3.65036 7.1829 numMergedOcc 0
20 mol 48 unq 15 iso 0 dist 6.85843 3.72746 4.17933 7.1796 5.37655 7.1829 numMergedOcc 0
21 mol 48 unq 16 iso 0 dist 9.40291 6.4561 8.14245 9.16212 3.60121 7.1829 numMergedOcc 0
22 mol 48 unq 17 iso 0 dist 7.94814 6.4561 4.17933 9.16212 5.37655 7.1829 numMergedOcc 0
23 mol 48 unq 18 iso 0 dist 9.55632 6.4561 5.54893 9.16212 8.48119 7.1829 numMergedOcc 0
24 mol 79 unq 0 iso 0 dist 6.64921 4.15002 4.15789 5.72627 4.37918 6.2576 numMergedOcc 0
25 mol 79 unq 1 iso 0 dist 6.64921 4.15002 4.15789 7.68741 9.08423 8.96069 numMergedOcc 0
26 mol 79 unq 2 iso 0 dist 6.64921 4.15002 4.15789 9.76351 6.29733 7.56495 numMergedOcc 0
27 mol 79 unq 3 iso 0 dist 6.64921 9.36535 4.808 12.6483 6.0298 5.79139 numMergedOcc 0
28 mol 79 unq 4 iso 0 dist 6.64921 9.36535 4.808 9.76351 6.29733 7.63923 numMergedOcc 0
29 mol 83 unq 0 iso 0 dist 5.13041 4.48523 7.50925 5.68212 8.98065 8.99451 numMergedOcc 0
30 mol 85 unq 0 iso 0 dist 8.67342 4.8069 6.67137 11.1537 5.22259 8.04853 numMergedOcc 0
31 mol 85 unq 1 iso 0 dist 8.60062 4.8069 7.04244 11.1537 7.66499 8.04853 numMergedOcc 0
32 mol 85 unq 2 iso 0 dist 5.73739 10.0178 6.67137 10.2791 5.22259 8.04853 numMergedOcc 0
33 mol 85 unq 3 iso 0 dist 5.16225 10.0178 7.04244 10.2791 7.66499 8.04853 numMergedOcc 0
34 mol 101 unq 0 iso 0 dist 8.2549 6.43467 8.19144 14.3413 13.0976 9.44645 numMergedOcc 0
35 mol 109 unq 0 iso 0 dist 9.87557 5.38685 9.29327 10.8943 11.1265 5.54226 numMergedOcc 0
36 mol 117 unq 0 iso 0 dist 8.71826 4.80213 9.02015 14.4606 13.6461 9.82836 numMergedOcc 0
37 mol 117 unq 1 iso 0 dist 8.71826 4.80213 9.02015 9.0779 6.05048 6.5788 numMergedOcc 0
38 mol 117 unq 2 iso 0 dist 8.71826 4.80213 9.02015 6.3322 4.42665 6.2771 numMergedOcc 0
39 mol 131 unq 0 iso 0 dist 7.34765 3.82317 7.53342 9.75061 4.94367 7.84546 numMergedOcc 0
40 mol 141 unq 0 iso 0 dist 5.28634 6.1672 4.88514 13.1958 13.8739 9.59109 numMergedOcc 0
41 mol 143 unq 0 iso 0 dist 6.38786 3.66518 4.3855 10.3805 4.5497 7.2932 numMergedOcc 0
42 mol 168 unq 0 iso 0 dist 5.64732 3.60864 5.86767 5.24076 8.8681 6.12453 numMergedOcc 0
43 mol 168 unq 1 iso 0 dist 5.52214 3.60864 5.28353 5.24076 3.73181 6.12453 numMergedOcc 0
44 mol 169 unq 0 iso 0 dist 6.27378 10.1931 5.10589 5.82321 6.28646 7.85698 numMergedOcc 0
45 mol 169 unq 1 iso 0 dist 6.27378 10.1931 5.10589 9.47253 7.83748 6.35799 numMergedOcc 0
46 mol 193 unq 0 iso 0 dist 9.73679 4.8988 8.30069 9.16058 11.1328 9.9042 numMergedOcc 0
47 mol 193 unq 1 iso 0 dist 9.73679 4.8988 8.30069 9.39453 11.4882 6.21262 numMergedOcc 0
48 mol 254 unq 0 iso 0 dist 9.83135 12.319 9.20109 18.4688 11.9238 9.50951 numMergedOcc 0
49 mol 254 unq 1 iso 0 dist 7.40957 9.72134 9.20109 17.7044 13.4911 9.31434 numMergedOcc 0
50 mol 260 unq 0 iso 0 dist 4.76164 9.45061 8.62655 10.1774 7.28821 6.49413 numMergedOcc 0
51 mol 287 unq 0 iso 0 dist 5.55176 5.13698 4.68668 12.6821 9.88575 8.58427 numMergedOcc 0
52 mol 288 unq 0 iso 0 dist 5.55176 5.13698 4.68668 12.6821 9.88575 8.58427 numMergedOcc 0
53 mol 289 unq 0 iso 0 dist 5.55176 5.13698 4.68668 12.6821 9.88575 8.58427 numMergedOcc 0
