0 mol 5 unq 0 iso 0 dist 9.22067 7.56866 5.30421 14.5394 8.49537 13.6912 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.49537 9.85529 11.966 14.5394 9.22067 19.759 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.9373 7.83087 3.3748 10.4192 8.4881 9.37129 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 8.4881 9.37129 3.3748 10.4192 9.9373 7.83087 numMergedOcc 0
4 mol 10 unq 2 iso 0 dist 7.83087 9.9373 3.3748 10.4382 9.97671 11.7194 numMergedOcc 0
5 mol 10 unq 3 iso 0 dist 7.83087 9.9373 3.3748 10.4192 9.37129 8.4881 numMergedOcc 0
6 mol 10 unq 4 iso 0 dist 9.37129 8.4881 3.3748 9.06785 9.97671 11.7194 numMergedOcc 0
7 mol 10 unq 5 iso 0 dist 9.37129 8.4881 3.3748 10.4192 7.83087 9.9373 numMergedOcc 0
8 mol 10 unq 6 iso 0 dist 9.6451 5.8369 8.53083 8.34698 7.55253 8.06428 numMergedOcc 0
9 mol 10 unq 7 iso 0 dist 5.8369 9.6451 8.53083 8.34698 8.06428 7.55253 numMergedOcc 0
10 mol 10 unq 8 iso 0 dist 7.55253 8.06428 8.53083 8.34698 9.6451 5.8369 numMergedOcc 0
11 mol 10 unq 9 iso 0 dist 8.06428 7.55253 8.53083 8.34698 5.8369 9.6451 numMergedOcc 0
12 mol 28 unq 0 iso 0 dist 9.28621 8.51428 8.67111 12.5255 8.94643 15.9319 numMergedOcc 0
13 mol 28 unq 1 iso 0 dist 9.28621 8.51428 8.67111 9.40652 8.36195 13.7143 numMergedOcc 0
14 mol 28 unq 2 iso 0 dist 8.09862 5.42412 3.70336 16.4082 8.97167 12.664 numMergedOcc 0
15 mol 28 unq 3 iso 0 dist 8.09862 8.89114 3.0988 16.4082 8.97167 8.8182 numMergedOcc 0
16 mol 28 unq 4 iso 0 dist 8.97167 8.8182 3.0988 16.4082 8.09862 8.89114 numMergedOcc 0
17 mol 28 unq 5 iso 0 dist 8.89114 5.42412 5.1533 16.4082 8.8182 12.664 numMergedOcc 0
18 mol 28 unq 6 iso 0 dist 8.89114 8.09862 3.0988 16.4082 8.8182 8.97167 numMergedOcc 0
19 mol 28 unq 7 iso 0 dist 8.8182 8.97167 3.0988 16.4082 8.89114 8.09862 numMergedOcc 0
20 mol 30 unq 0 iso 0 dist 9.71995 9.11745 11.1844 9.60272 6.93011 15.768 numMergedOcc 0
21 mol 30 unq 1 iso 0 dist 9.71995 4.62145 11.2187 9.60272 6.93011 13.1928 numMergedOcc 0
22 mol 41 unq 0 iso 0 dist 7.16598 7.42476 4.19742 4.67252 9.14632 10.6099 numMergedOcc 0
23 mol 48 unq 0 iso 0 dist 7.33788 9.74351 4.78728 5.43494 8.52681 9.98769 numMergedOcc 0
24 mol 48 unq 1 iso 0 dist 7.33788 7.36877 5.61785 5.43494 8.52681 10.9073 numMergedOcc 0
25 mol 48 unq 2 iso 0 dist 9.74351 7.33788 4.78728 5.43494 9.98769 8.52681 numMergedOcc 0
26 mol 48 unq 3 iso 0 dist 9.74351 7.36877 6.20957 5.43494 9.98769 10.9073 numMergedOcc 0
27 mol 48 unq 4 iso 0 dist 7.36877 7.33788 5.61785 5.13868 9.55284 10.6828 numMergedOcc 0
28 mol 48 unq 5 iso 0 dist 7.36877 9.74351 6.20957 5.13868 9.55284 10.9118 numMergedOcc 0
29 mol 48 unq 6 iso 0 dist 8.52681 9.98769 4.78728 5.43494 7.33788 9.74351 numMergedOcc 0
30 mol 48 unq 7 iso 0 dist 9.98769 8.52681 4.78728 5.43494 9.74351 7.33788 numMergedOcc 0
31 mol 48 unq 8 iso 0 dist 9.21776 6.89752 6.29252 5.56042 9.40291 10.6705 numMergedOcc 0
32 mol 48 unq 9 iso 0 dist 9.21776 6.85843 4.73799 5.56042 9.40291 7.94814 numMergedOcc 0
33 mol 48 unq 10 iso 0 dist 6.85843 9.21776 4.73799 5.56042 7.94814 9.40291 numMergedOcc 0
34 mol 48 unq 11 iso 0 dist 6.85843 6.89752 5.553 5.56042 7.94814 10.6705 numMergedOcc 0
35 mol 48 unq 12 iso 0 dist 9.40291 7.94814 4.73799 5.56042 9.21776 6.85843 numMergedOcc 0
36 mol 48 unq 13 iso 0 dist 9.40291 9.55632 7.19576 5.56042 9.21776 9.03709 numMergedOcc 0
37 mol 48 unq 14 iso 0 dist 7.94814 9.40291 4.73799 5.56042 6.85843 9.21776 numMergedOcc 0
38 mol 48 unq 15 iso 0 dist 7.94814 9.55632 3.18526 5.56042 6.85843 9.03709 numMergedOcc 0
39 mol 73 unq 0 iso 0 dist 5.88827 9.66175 8.86418 4.56026 7.9575 9.53456 numMergedOcc 0
40 mol 85 unq 0 iso 0 dist 8.67342 8.60062 2.58673 9.06957 5.73739 5.16225 numMergedOcc 0
41 mol 85 unq 1 iso 0 dist 8.60062 8.67342 2.58673 9.06957 5.16225 5.73739 numMergedOcc 0
42 mol 85 unq 2 iso 0 dist 5.73739 5.16225 2.58673 9.06957 8.67342 8.60062 numMergedOcc 0
43 mol 85 unq 3 iso 0 dist 5.16225 5.73739 2.58673 9.06957 8.60062 8.67342 numMergedOcc 0
44 mol 193 unq 0 iso 0 dist 9.50113 9.73679 14.6395 13.7578 9.00084 20.5012 numMergedOcc 0
45 mol 230 unq 0 iso 0 dist 9.73038 9.62914 13.2396 9.462 7.51295 17.4112 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 9.90506 8.61077 5.76129 5.6921 9.03341 10.9833 numMergedOcc 0
47 mol 266 unq 1 iso 0 dist 9.90506 9.11585 8.75066 5.6921 9.03341 12.7605 numMergedOcc 0
48 mol 266 unq 2 iso 0 dist 6.39822 5.36518 3.00605 5.40028 8.61077 9.11585 numMergedOcc 0
49 mol 266 unq 3 iso 0 dist 8.61077 9.90506 5.76129 5.40028 6.39822 10.3444 numMergedOcc 0
50 mol 266 unq 4 iso 0 dist 8.61077 9.11585 3.00605 5.40028 6.39822 5.36518 numMergedOcc 0
51 mol 266 unq 5 iso 0 dist 5.36518 6.39822 3.00605 5.40028 9.11585 8.61077 numMergedOcc 0
52 mol 266 unq 6 iso 0 dist 9.11585 9.90506 8.75066 5.40028 5.36518 10.3444 numMergedOcc 0
53 mol 266 unq 7 iso 0 dist 9.11585 8.61077 3.00605 5.40028 5.36518 6.39822 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 8.90967 6.40861 3.75238 15.2073 9.07744 12.4905 numMergedOcc 0
55 mol 277 unq 1 iso 0 dist 8.90967 6.40861 3.75238 15.6008 8.42892 9.71221 numMergedOcc 0
56 mol 281 unq 0 iso 0 dist 9.06888 6.62682 3.77058 15.6382 9.39268 12.8134 numMergedOcc 0
57 mol 287 unq 0 iso 0 dist 7.82157 8.39976 13.001 8.72516 5.44942 12.688 numMergedOcc 0
58 mol 287 unq 1 iso 0 dist 7.82157 8.39976 13.001 12.4945 8.53689 17.8478 numMergedOcc 0
59 mol 288 unq 0 iso 0 dist 7.82157 8.39976 13.001 8.72516 5.44942 12.688 numMergedOcc 0
60 mol 288 unq 1 iso 0 dist 7.82157 8.39976 13.001 12.4945 8.53689 17.8478 numMergedOcc 0
61 mol 289 unq 0 iso 0 dist 7.82157 8.39976 13.001 8.72516 5.44942 12.688 numMergedOcc 0
62 mol 289 unq 1 iso 0 dist 7.82157 8.39976 13.001 12.4945 8.53689 17.8478 numMergedOcc 0
