0 mol 10 unq 0 iso 0 dist 9.88507 9.97671 10.9227 9.00506 7.8329 16.0171 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 5.74567 6.5643 4.3591 5.56803 5.16502 8.3844 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 5.74567 6.5643 4.3591 11.6967 8.26398 12.322 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 6.02472 7.44805 3.57198 6.81182 5.53419 3.77542 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.50475 9.55284 3.50984 6.25072 6.28603 5.54472 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.50475 9.55284 3.50984 3.72926 8.80303 8.62369 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.50475 9.55284 3.50984 8.48678 7.11491 6.5241 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 7.66163 7.33788 5.39812 6.64874 6.28603 9.83205 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 7.66163 7.33788 5.39812 5.68077 8.80303 11.444 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 7.66163 7.33788 5.39812 3.85292 7.11491 4.22002 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 7.66163 9.74351 3.59761 6.64874 6.28603 9.84914 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 7.66163 9.74351 3.59761 5.68077 8.80303 11.9942 numMergedOcc 0
12 mol 48 unq 8 iso 0 dist 7.66163 9.74351 3.59761 3.85292 7.11491 8.10774 numMergedOcc 0
13 mol 48 unq 9 iso 0 dist 7.66163 7.36877 3.50984 6.64874 6.28603 5.54472 numMergedOcc 0
14 mol 48 unq 10 iso 0 dist 7.66163 7.36877 3.50984 5.68077 8.80303 8.62369 numMergedOcc 0
15 mol 48 unq 11 iso 0 dist 7.66163 7.36877 3.50984 3.85292 7.11491 6.5241 numMergedOcc 0
16 mol 48 unq 12 iso 0 dist 9.48288 8.52681 5.39812 10.6872 6.28603 9.83205 numMergedOcc 0
17 mol 48 unq 13 iso 0 dist 9.48288 8.52681 5.39812 9.24728 8.80303 11.444 numMergedOcc 0
18 mol 48 unq 14 iso 0 dist 9.48288 8.52681 5.39812 6.44604 7.11491 4.22002 numMergedOcc 0
19 mol 48 unq 15 iso 0 dist 9.48288 9.98769 3.59761 10.6872 6.28603 9.84914 numMergedOcc 0
20 mol 48 unq 16 iso 0 dist 9.48288 9.98769 3.59761 9.24728 8.80303 11.9942 numMergedOcc 0
21 mol 48 unq 17 iso 0 dist 9.48288 9.98769 3.59761 6.44604 7.11491 8.10774 numMergedOcc 0
22 mol 48 unq 18 iso 0 dist 8.82709 7.90416 7.06935 9.165 8.40186 9.05737 numMergedOcc 0
23 mol 48 unq 19 iso 0 dist 8.82709 9.74553 10.6648 9.165 8.40186 14.5865 numMergedOcc 0
24 mol 48 unq 20 iso 0 dist 7.1796 9.21776 3.60121 6.42565 5.73454 9.29472 numMergedOcc 0
25 mol 48 unq 21 iso 0 dist 7.1796 9.21776 3.60121 5.7824 8.2012 11.3622 numMergedOcc 0
26 mol 48 unq 22 iso 0 dist 7.1796 9.21776 3.60121 3.72746 7.1829 8.14245 numMergedOcc 0
27 mol 48 unq 23 iso 0 dist 7.1796 6.89752 3.65036 6.42565 5.73454 5.37439 numMergedOcc 0
28 mol 48 unq 24 iso 0 dist 7.1796 6.89752 3.65036 5.7824 8.2012 8.3714 numMergedOcc 0
29 mol 48 unq 25 iso 0 dist 7.1796 6.89752 3.65036 3.72746 7.1829 6.36817 numMergedOcc 0
30 mol 48 unq 26 iso 0 dist 7.1796 6.85843 5.37655 6.42565 5.73454 9.47823 numMergedOcc 0
31 mol 48 unq 27 iso 0 dist 7.1796 6.85843 5.37655 5.7824 8.2012 11.095 numMergedOcc 0
32 mol 48 unq 28 iso 0 dist 7.1796 6.85843 5.37655 3.72746 7.1829 4.17933 numMergedOcc 0
33 mol 48 unq 29 iso 0 dist 9.16212 9.40291 3.60121 10.5404 5.73454 9.29472 numMergedOcc 0
34 mol 48 unq 30 iso 0 dist 9.16212 9.40291 3.60121 9.35478 8.2012 11.3622 numMergedOcc 0
35 mol 48 unq 31 iso 0 dist 9.16212 9.40291 3.60121 6.4561 7.1829 8.14245 numMergedOcc 0
36 mol 48 unq 32 iso 0 dist 9.16212 7.94814 5.37655 10.5404 5.73454 9.47823 numMergedOcc 0
37 mol 48 unq 33 iso 0 dist 9.16212 7.94814 5.37655 9.35478 8.2012 11.095 numMergedOcc 0
38 mol 48 unq 34 iso 0 dist 9.16212 7.94814 5.37655 6.4561 7.1829 4.17933 numMergedOcc 0
39 mol 48 unq 35 iso 0 dist 9.16212 9.55632 8.48119 10.5404 5.73454 12.439 numMergedOcc 0
40 mol 48 unq 36 iso 0 dist 9.16212 9.55632 8.48119 9.35478 8.2012 13.9254 numMergedOcc 0
41 mol 48 unq 37 iso 0 dist 9.16212 9.55632 8.48119 6.4561 7.1829 5.54893 numMergedOcc 0
42 mol 79 unq 0 iso 0 dist 5.72627 6.64921 4.37918 4.15002 6.2576 4.15789 numMergedOcc 0
43 mol 79 unq 1 iso 0 dist 7.68741 6.64921 9.08423 4.15002 8.96069 4.15789 numMergedOcc 0
44 mol 79 unq 2 iso 0 dist 9.76351 6.64921 6.29733 4.15002 7.56495 4.15789 numMergedOcc 0
45 mol 79 unq 3 iso 0 dist 9.76351 6.64921 6.29733 9.36535 7.63923 4.808 numMergedOcc 0
46 mol 79 unq 4 iso 0 dist 9.76351 6.64921 6.29733 9.33609 8.23095 10.0957 numMergedOcc 0
47 mol 83 unq 0 iso 0 dist 5.68212 5.13041 8.98065 4.48523 8.99451 7.50925 numMergedOcc 0
48 mol 93 unq 0 iso 0 dist 8.69945 8.24402 4.34681 15.9 7.83506 10.8976 numMergedOcc 0
49 mol 93 unq 1 iso 0 dist 8.69945 7.14241 13.5809 15.9 7.83506 20.602 numMergedOcc 0
50 mol 117 unq 0 iso 0 dist 6.3322 8.71826 4.42665 4.80213 6.2771 9.02015 numMergedOcc 0
51 mol 131 unq 0 iso 0 dist 9.75061 7.34765 4.94367 3.82317 7.84546 7.53342 numMergedOcc 0
52 mol 168 unq 0 iso 0 dist 5.24076 5.64732 8.8681 3.60864 6.12453 5.86767 numMergedOcc 0
53 mol 168 unq 1 iso 0 dist 5.24076 5.64732 8.8681 7.08284 9.87447 10.293 numMergedOcc 0
54 mol 168 unq 2 iso 0 dist 5.24076 5.52214 3.73181 3.60864 6.12453 5.28353 numMergedOcc 0
55 mol 168 unq 3 iso 0 dist 5.24076 5.52214 3.73181 7.08284 9.87447 10.3204 numMergedOcc 0
56 mol 168 unq 4 iso 0 dist 5.24076 5.80055 5.71136 3.60864 6.12453 8.89343 numMergedOcc 0
57 mol 168 unq 5 iso 0 dist 5.24076 5.80055 5.71136 7.08284 9.87447 12.6485 numMergedOcc 0
58 mol 168 unq 6 iso 0 dist 5.24076 7.44481 5.46307 3.60864 6.12453 9.52186 numMergedOcc 0
59 mol 168 unq 7 iso 0 dist 5.24076 7.44481 5.46307 7.08284 9.87447 14.0933 numMergedOcc 0
60 mol 169 unq 0 iso 0 dist 5.82321 6.27378 6.28646 10.1931 7.85698 5.10589 numMergedOcc 0
61 mol 169 unq 1 iso 0 dist 5.82321 6.27378 6.28646 9.3331 8.75484 14.0788 numMergedOcc 0
62 mol 186 unq 0 iso 0 dist 8.53237 8.35588 15.0132 5.28021 5.25762 11.9419 numMergedOcc 0
63 mol 193 unq 0 iso 0 dist 9.16058 9.50113 5.96435 4.8988 9.9042 12.6747 numMergedOcc 0
64 mol 193 unq 1 iso 0 dist 9.16058 9.73679 11.1328 4.8988 9.9042 8.30069 numMergedOcc 0
65 mol 266 unq 0 iso 0 dist 9.34312 6.39822 4.60397 16.7215 7.63543 12.0398 numMergedOcc 0
66 mol 266 unq 1 iso 0 dist 9.34312 5.36518 5.26919 16.7215 7.63543 12.3639 numMergedOcc 0
