0 mol 69 unq 0 iso 0 dist 7.00234 9.56859 10.4187 5.57378 7.03224 14.1843 numMergedOcc 0
1 mol 69 unq 1 iso 0 dist 7.30652 5.75135 10.4187 10.3741 7.03224 14.1843 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.41861 6.46582 8.58474 7.7047 5.73235 9.0369 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.41861 6.46582 8.58474 4.00834 7.48127 5.91098 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 5.55798 7.06029 4.13187 7.95422 8.61089 11.6139 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 5.55798 7.06029 4.13187 6.05149 8.64686 6.65972 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 6.77845 9.94528 4.48523 9.39588 7.2118 7.69755 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 5.48555 8.94777 4.48523 12.0034 7.2118 7.69755 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.29249 7.33353 4.51052 9.44377 7.70612 8.01266 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.29249 8.55622 5.10352 9.44377 7.70612 10.8854 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 9.62357 8.50194 5.94177 15.1223 6.61973 11.3496 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 7.82249 9.30187 5.24084 4.41948 7.79078 10.3174 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 5.16531 7.04904 4.39633 12.2874 9.52061 11.0632 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 5.16531 5.06053 4.13875 12.2874 9.52061 12.8156 numMergedOcc 0
14 mol 129 unq 2 iso 0 dist 6.65878 7.84813 6.61102 5.0466 7.6453 4.4077 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 8.75242 5.79195 9.35049 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.9268 4.82356 4.63862 14.0828 9.2759 10.3668 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 6.9268 4.82356 4.63862 15.4372 8.76088 13.1234 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 9.56319 8.22722 6.208 14.3149 8.8353 14.0891 numMergedOcc 0
19 mol 133 unq 4 iso 0 dist 9.73038 8.52036 6.208 17.9749 8.8353 14.0891 numMergedOcc 0
20 mol 133 unq 5 iso 0 dist 8.19166 8.83476 4.63862 6.45333 5.79195 9.35049 numMergedOcc 0
21 mol 133 unq 6 iso 0 dist 8.19166 8.83476 4.63862 11.5586 9.2759 10.3668 numMergedOcc 0
22 mol 133 unq 7 iso 0 dist 8.19166 8.83476 4.63862 14.3705 8.76088 13.1234 numMergedOcc 0
23 mol 136 unq 0 iso 0 dist 7.65792 9.73897 6.9502 4.65485 8.41727 11.8366 numMergedOcc 0
24 mol 136 unq 1 iso 0 dist 7.65792 8.59512 4.55722 4.65485 8.41727 10.4569 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 5.47265 8.76449 10.0388 7.75436 5.32865 14.6837 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 5.47265 8.36182 9.71714 7.75436 5.32865 14.6067 numMergedOcc 0
27 mol 154 unq 0 iso 0 dist 9.87968 8.44389 10.9822 12.0865 8.66733 17.707 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 5.21088 5.05414 3.9335 4.65303 7.36571 5.03588 numMergedOcc 0
29 mol 192 unq 1 iso 0 dist 5.21088 7.16964 5.31881 4.65303 7.36571 9.37889 numMergedOcc 0
30 mol 192 unq 2 iso 0 dist 9.78743 5.05414 10.6325 13.2525 6.2016 15.7742 numMergedOcc 0
31 mol 192 unq 3 iso 0 dist 9.78743 7.16964 7.64178 13.2525 6.2016 12.9612 numMergedOcc 0
32 mol 192 unq 4 iso 0 dist 8.25609 5.05414 10.6087 4.65303 9.17137 5.03588 numMergedOcc 0
33 mol 192 unq 5 iso 0 dist 8.25609 7.16964 13.6786 4.65303 9.17137 9.37889 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 8.47833 8.93485 6.82382 11.2438 6.43519 8.83628 numMergedOcc 0
35 mol 205 unq 1 iso 0 dist 5.47586 5.66636 6.82382 7.47443 6.43519 8.83628 numMergedOcc 0
36 mol 230 unq 0 iso 0 dist 5.19913 6.99256 3.86973 6.28086 9.24729 8.01593 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 5.9223 6.61322 5.05766 10.1932 7.53199 10.2898 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 5.9223 6.61322 5.05766 9.26732 8.58092 5.94328 numMergedOcc 0
39 mol 258 unq 2 iso 0 dist 5.9223 6.61322 5.05766 6.72414 7.40014 7.91978 numMergedOcc 0
40 mol 265 unq 0 iso 0 dist 9.94957 5.8898 13.1075 4.47698 7.52632 9.92016 numMergedOcc 0
41 mol 285 unq 0 iso 0 dist 7.38536 5.28731 3.57803 6.37482 6.32984 7.08681 numMergedOcc 0
42 mol 287 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 numMergedOcc 0
43 mol 287 unq 1 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 numMergedOcc 0
44 mol 287 unq 2 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 numMergedOcc 0
46 mol 288 unq 1 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 numMergedOcc 0
47 mol 288 unq 2 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 numMergedOcc 0
49 mol 289 unq 1 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 numMergedOcc 0
50 mol 289 unq 2 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 numMergedOcc 0
