0 mol 46 unq 0 iso 0 dist 6.02472 6.81182 5.53419 7.44805 3.57198 3.77542 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.50475 6.25072 6.28603 9.55284 3.50984 5.54472 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.50475 3.72926 8.80303 9.55284 3.50984 8.62369 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.50475 8.48678 7.11491 16.5407 11.6319 8.22812 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.50475 8.48678 7.11491 10.6828 5.39812 4.22002 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 8.50475 8.48678 7.11491 13.3984 8.55482 5.77855 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 8.50475 8.48678 7.11491 10.9118 3.59761 8.10774 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 8.50475 8.48678 7.11491 9.55284 3.50984 6.5241 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 7.66163 6.64874 6.28603 7.36877 3.50984 5.54472 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 7.66163 5.68077 8.80303 7.36877 3.50984 8.62369 numMergedOcc 0
10 mol 48 unq 9 iso 0 dist 7.66163 3.85292 7.11491 11.9578 11.6319 8.22812 numMergedOcc 0
11 mol 48 unq 10 iso 0 dist 7.66163 3.85292 7.11491 7.33788 5.39812 4.22002 numMergedOcc 0
12 mol 48 unq 11 iso 0 dist 7.66163 3.85292 7.11491 9.51079 8.55482 5.77855 numMergedOcc 0
13 mol 48 unq 12 iso 0 dist 7.66163 3.85292 7.11491 9.74351 3.59761 8.10774 numMergedOcc 0
14 mol 48 unq 13 iso 0 dist 7.66163 3.85292 7.11491 7.36877 3.50984 6.5241 numMergedOcc 0
15 mol 48 unq 14 iso 0 dist 9.48288 10.6872 6.28603 10.9073 3.50984 5.54472 numMergedOcc 0
16 mol 48 unq 15 iso 0 dist 9.48288 9.24728 8.80303 10.9073 3.50984 8.62369 numMergedOcc 0
17 mol 48 unq 16 iso 0 dist 9.48288 6.44604 7.11491 13.8065 11.6319 8.22812 numMergedOcc 0
18 mol 48 unq 17 iso 0 dist 9.48288 6.44604 7.11491 8.52681 5.39812 4.22002 numMergedOcc 0
19 mol 48 unq 18 iso 0 dist 9.48288 6.44604 7.11491 10.084 8.55482 5.77855 numMergedOcc 0
20 mol 48 unq 19 iso 0 dist 9.48288 6.44604 7.11491 9.98769 3.59761 8.10774 numMergedOcc 0
21 mol 48 unq 20 iso 0 dist 9.48288 6.44604 7.11491 10.9073 3.50984 6.5241 numMergedOcc 0
22 mol 48 unq 21 iso 0 dist 8.82709 9.165 8.40186 7.90416 7.06935 9.05737 numMergedOcc 0
23 mol 48 unq 22 iso 0 dist 7.1796 6.42565 5.73454 6.89752 3.65036 5.37439 numMergedOcc 0
24 mol 48 unq 23 iso 0 dist 7.1796 5.7824 8.2012 6.89752 3.65036 8.3714 numMergedOcc 0
25 mol 48 unq 24 iso 0 dist 7.1796 3.72746 7.1829 9.21776 3.60121 8.14245 numMergedOcc 0
26 mol 48 unq 25 iso 0 dist 7.1796 3.72746 7.1829 6.89752 3.65036 6.36817 numMergedOcc 0
27 mol 48 unq 26 iso 0 dist 7.1796 3.72746 7.1829 11.7175 11.611 8.0812 numMergedOcc 0
28 mol 48 unq 27 iso 0 dist 7.1796 3.72746 7.1829 6.85843 5.37655 4.17933 numMergedOcc 0
29 mol 48 unq 28 iso 0 dist 7.1796 3.72746 7.1829 9.03709 8.48119 5.54893 numMergedOcc 0
30 mol 48 unq 29 iso 0 dist 9.16212 10.5404 5.73454 10.6705 3.65036 5.37439 numMergedOcc 0
31 mol 48 unq 30 iso 0 dist 9.16212 9.35478 8.2012 10.6705 3.65036 8.3714 numMergedOcc 0
32 mol 48 unq 31 iso 0 dist 9.16212 6.4561 7.1829 9.40291 3.60121 8.14245 numMergedOcc 0
33 mol 48 unq 32 iso 0 dist 9.16212 6.4561 7.1829 10.6705 3.65036 6.36817 numMergedOcc 0
34 mol 48 unq 33 iso 0 dist 9.16212 6.4561 7.1829 13.4464 11.611 8.0812 numMergedOcc 0
35 mol 48 unq 34 iso 0 dist 9.16212 6.4561 7.1829 7.94814 5.37655 4.17933 numMergedOcc 0
36 mol 48 unq 35 iso 0 dist 9.16212 6.4561 7.1829 9.55632 8.48119 5.54893 numMergedOcc 0
37 mol 79 unq 0 iso 0 dist 5.72627 4.15002 6.2576 6.64921 4.37918 4.15789 numMergedOcc 0
38 mol 79 unq 1 iso 0 dist 7.68741 4.15002 8.96069 6.64921 9.08423 4.15789 numMergedOcc 0
39 mol 79 unq 2 iso 0 dist 9.76351 4.15002 7.56495 6.64921 6.29733 4.15789 numMergedOcc 0
40 mol 79 unq 3 iso 0 dist 9.76351 9.36535 7.63923 12.9584 5.41884 6.20144 numMergedOcc 0
41 mol 79 unq 4 iso 0 dist 9.76351 9.36535 7.63923 6.64921 6.29733 4.808 numMergedOcc 0
42 mol 83 unq 0 iso 0 dist 5.68212 4.48523 8.99451 5.13041 8.98065 7.50925 numMergedOcc 0
43 mol 83 unq 1 iso 0 dist 5.68212 4.48523 8.99451 8.57603 13.9971 6.96722 numMergedOcc 0
44 mol 93 unq 0 iso 0 dist 9.52206 11.0847 7.83506 15.52 8.98901 5.20429 numMergedOcc 0
45 mol 93 unq 1 iso 0 dist 9.52206 11.0847 7.83506 12.9325 8.52329 8.71366 numMergedOcc 0
46 mol 93 unq 2 iso 0 dist 8.69945 15.9 7.83506 17.1393 8.98901 5.20429 numMergedOcc 0
47 mol 93 unq 3 iso 0 dist 8.69945 15.9 7.83506 16.2434 8.52329 8.71366 numMergedOcc 0
48 mol 117 unq 0 iso 0 dist 6.3322 4.80213 6.2771 8.71826 4.42665 9.02015 numMergedOcc 0
49 mol 128 unq 0 iso 0 dist 8.73383 11.2088 7.4442 14.0868 6.30769 6.08651 numMergedOcc 0
50 mol 131 unq 0 iso 0 dist 9.75061 3.82317 7.84546 7.34765 4.94367 7.53342 numMergedOcc 0
51 mol 168 unq 0 iso 0 dist 5.24076 3.60864 6.12453 5.64732 8.8681 5.86767 numMergedOcc 0
52 mol 168 unq 1 iso 0 dist 5.24076 3.60864 6.12453 5.52214 3.73181 5.28353 numMergedOcc 0
53 mol 169 unq 0 iso 0 dist 5.82321 10.1931 7.85698 6.27378 6.28646 5.10589 numMergedOcc 0
54 mol 193 unq 0 iso 0 dist 9.16058 4.8988 9.9042 9.73679 11.1328 8.30069 numMergedOcc 0
55 mol 193 unq 1 iso 0 dist 9.16058 4.8988 9.9042 12.0533 11.6691 8.83551 numMergedOcc 0
56 mol 206 unq 0 iso 0 dist 8.88372 3.98316 5.17607 10.4918 5.6074 6.80296 numMergedOcc 0
57 mol 214 unq 0 iso 0 dist 5.82124 6.3474 5.05626 11.8306 6.28944 8.66082 numMergedOcc 0
58 mol 214 unq 1 iso 0 dist 5.82124 10.6456 8.41013 11.8306 6.28944 7.96338 numMergedOcc 0
59 mol 214 unq 2 iso 0 dist 5.82124 10.6456 8.41013 12.591 7.23583 7.42759 numMergedOcc 0
60 mol 214 unq 3 iso 0 dist 8.31236 8.44414 5.05626 12.2241 6.28944 8.66082 numMergedOcc 0
61 mol 214 unq 4 iso 0 dist 8.31236 7.47595 8.41013 12.2241 6.28944 7.96338 numMergedOcc 0
62 mol 214 unq 5 iso 0 dist 8.31236 7.47595 8.41013 12.6869 7.23583 7.42759 numMergedOcc 0
