0 mol 8 unq 0 iso 0 dist 6.82379 13.7792 8.94096 5.7531 7.12263 14.5611 7.03958 5.65816 14.4294 7.27018 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 15.4959 9.07858 5.7531 7.12263 12.9762 7.03958 5.65816 11.4415 7.27018 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.24978 10.6893 8.94096 4.88215 7.12263 14.5611 9.77703 5.65816 14.4294 7.27018 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.24978 12.0818 9.07858 4.88215 7.12263 12.9762 9.77703 5.65816 11.4415 7.27018 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 9.66439 13.8882 8.94096 6.36434 7.12263 14.5611 12.013 5.65816 14.4294 7.27018 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 9.66439 11.4738 9.07858 6.36434 7.12263 12.9762 12.013 5.65816 11.4415 7.27018 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 7.3915 12.8924 8.94096 8.79272 7.12263 14.5611 8.53529 5.65816 14.4294 7.27018 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 7.3915 4.85329 9.07858 8.79272 7.12263 12.9762 8.53529 5.65816 11.4415 7.27018 numMergedOcc 0
8 mol 9 unq 0 iso 0 dist 9.78006 5.60154 8.04924 11.0722 5.55437 6.81435 9.62394 7.28672 9.57198 8.076 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.65802 12.3813 9.20197 7.23437 7.39754 10.4552 7.52354 5.8102 14.3836 8.29345 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.72642 11.7126 9.9928 7.21418 8.71286 6.03931 12.13 9.18958 5.60389 8.85881 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.99857 6.35763 9.87025 4.99056 8.03035 11.1324 9.11344 6.96805 11.1099 8.8562 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 7.99857 6.35763 9.87025 4.99056 8.03035 11.1324 12.7677 13.3975 18.7646 7.91683 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 7.99857 7.36192 5.85818 4.99056 8.03035 8.96522 9.11344 6.96805 11.8717 8.8562 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 7.99857 7.36192 5.85818 4.99056 8.03035 8.96522 12.7677 13.3975 15.8603 7.91683 numMergedOcc 0
15 mol 119 unq 4 iso 0 dist 8.56342 10.0197 9.87025 3.78311 8.03035 11.1324 6.52773 6.96805 11.1099 8.8562 numMergedOcc 0
16 mol 119 unq 5 iso 0 dist 8.56342 10.0197 9.87025 3.78311 8.03035 11.1324 9.23858 13.3975 18.7646 7.91683 numMergedOcc 0
17 mol 119 unq 6 iso 0 dist 8.56342 10.6679 5.85818 3.78311 8.03035 8.96522 6.52773 6.96805 11.8717 8.8562 numMergedOcc 0
18 mol 119 unq 7 iso 0 dist 8.56342 10.6679 5.85818 3.78311 8.03035 8.96522 9.23858 13.3975 15.8603 7.91683 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 9.15431 7.71288 9.39683 7.21005 7.76594 12.4067 10.8571 5.66194 14.0282 5.39061 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 6.92648 4.89973 9.39683 11.5688 7.76594 12.4067 11.8964 5.66194 14.0282 5.39061 numMergedOcc 0
21 mol 131 unq 2 iso 0 dist 9.29384 7.00551 9.39683 15.7796 7.76594 12.4067 14.9021 5.66194 14.0282 5.39061 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.41611 5.44503 6.40901 10.8441 5.73236 7.12863 9.14266 5.99865 9.30424 6.95372 numMergedOcc 0
23 mol 156 unq 0 iso 0 dist 9.31851 10.5873 9.54367 13.6634 8.06913 10.5496 18.6707 11.6326 17.5659 7.46845 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 9.31851 4.73711 7.26859 13.6634 8.06913 9.19336 18.6707 11.6326 14.6329 7.46845 numMergedOcc 0
25 mol 156 unq 2 iso 0 dist 9.43259 13.2847 6.87906 10.7023 5.90883 10.5496 13.0658 11.3995 17.5659 7.46845 numMergedOcc 0
26 mol 156 unq 3 iso 0 dist 9.43259 5.97294 7.94975 10.7023 5.90883 9.19336 13.0658 11.3995 14.6329 7.46845 numMergedOcc 0
27 mol 156 unq 4 iso 0 dist 9.43259 16.5051 8.49473 10.7023 5.90883 13.3907 13.0658 11.3995 19.098 7.46845 numMergedOcc 0
28 mol 156 unq 5 iso 0 dist 9.43259 13.6496 9.39865 10.7023 5.90883 4.24398 13.0658 11.3995 9.67663 7.46845 numMergedOcc 0
29 mol 156 unq 6 iso 0 dist 6.2319 13.2847 9.54367 10.7023 8.06913 10.5496 13.0658 11.6326 17.5659 7.46845 numMergedOcc 0
30 mol 156 unq 7 iso 0 dist 6.2319 5.97294 7.26859 10.7023 8.06913 9.19336 13.0658 11.6326 14.6329 7.46845 numMergedOcc 0
31 mol 156 unq 8 iso 0 dist 9.97732 14.42 9.54367 9.00862 8.06913 10.5496 11.5017 11.6326 17.5659 7.46845 numMergedOcc 0
32 mol 156 unq 9 iso 0 dist 9.97732 6.53729 7.26859 9.00862 8.06913 9.19336 11.5017 11.6326 14.6329 7.46845 numMergedOcc 0
33 mol 171 unq 0 iso 0 dist 7.71426 8.08908 5.73148 4.44751 7.82546 7.48646 5.93786 6.29877 10.4506 7.32555 numMergedOcc 0
34 mol 171 unq 1 iso 0 dist 5.10618 6.05805 5.73148 9.61561 7.82546 7.48646 8.24693 6.29877 10.4506 7.32555 numMergedOcc 0
35 mol 171 unq 2 iso 0 dist 9.86681 8.83561 5.73148 10.2067 7.82546 7.48646 13.8551 6.29877 10.4506 7.32555 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.72641 10.5203 9.59034 8.12143 7.23293 8.37278 10.2534 5.91678 11.6006 5.45675 numMergedOcc 0
37 mol 194 unq 0 iso 0 dist 6.26839 15.9311 9.77862 6.66155 5.52678 12.0339 8.65535 5.92931 11.6497 6.37788 numMergedOcc 0
38 mol 194 unq 1 iso 0 dist 6.26839 15.9311 9.77862 5.4499 9.81666 18.7006 8.65535 5.92931 11.6497 8.7028 numMergedOcc 0
39 mol 194 unq 2 iso 0 dist 8.12346 13.7758 9.77862 6.12973 5.52678 12.0339 12.0009 5.92931 11.6497 6.37788 numMergedOcc 0
40 mol 194 unq 3 iso 0 dist 8.12346 13.7758 9.77862 11.0239 9.81666 18.7006 12.0009 5.92931 11.6497 8.7028 numMergedOcc 0
41 mol 194 unq 4 iso 0 dist 8.83356 5.38925 9.77862 13.0333 5.52678 12.0339 12.645 5.92931 11.6497 6.37788 numMergedOcc 0
42 mol 194 unq 5 iso 0 dist 8.83356 5.38925 9.77862 18.6469 9.81666 18.7006 12.645 5.92931 11.6497 8.7028 numMergedOcc 0
43 mol 194 unq 6 iso 0 dist 8.2654 14.2415 9.77862 10.1796 5.52678 12.0339 13.9101 5.92931 11.6497 6.37788 numMergedOcc 0
44 mol 194 unq 7 iso 0 dist 8.2654 14.2415 9.77862 13.5457 9.81666 18.7006 13.9101 5.92931 11.6497 8.7028 numMergedOcc 0
45 mol 225 unq 0 iso 0 dist 6.6561 8.69249 5.13453 4.76151 6.53728 8.99405 13.45 14.3973 14.999 9.23935 numMergedOcc 0
46 mol 225 unq 1 iso 0 dist 6.6561 8.69249 5.13453 4.76151 6.53728 8.99405 11.7017 13.923 15.6422 7.77552 numMergedOcc 0
47 mol 225 unq 2 iso 0 dist 8.87609 5.06326 7.29542 11.5135 6.53728 7.13893 10.281 6.59663 7.73748 8.20162 numMergedOcc 0
48 mol 237 unq 0 iso 0 dist 7.42587 5.54394 7.35569 13.1083 9.84466 16.0031 16.5198 10.634 17.6256 6.11495 numMergedOcc 0
