0 mol 69 unq 0 iso 0 dist 7.00234 9.56859 10.4187 5.57378 7.03224 14.1843 14.8167 15.7168 7.17133 19.8727 numMergedOcc 0
1 mol 69 unq 1 iso 0 dist 7.30652 5.75135 10.4187 10.3741 7.03224 14.1843 12.8471 15.7168 7.17133 19.8727 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.41861 6.46582 8.58474 7.7047 5.73235 9.0369 4.00834 7.48127 5.91098 10.0928 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.41861 6.46582 8.58474 7.7047 5.73235 9.0369 9.6911 11.1162 4.86523 9.19938 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 7.41861 6.46582 8.58474 4.00834 7.48127 5.91098 9.6911 11.1162 4.86523 10.5047 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 5.55798 7.06029 4.13187 7.95422 8.61089 11.6139 6.05149 8.64686 6.65972 12.6473 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 6.77845 9.94528 4.48523 9.39588 7.2118 7.69755 14.6472 11.3405 9.64197 5.60542 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 5.48555 8.94777 4.48523 12.0034 7.2118 7.69755 16.6651 11.3405 9.64197 5.60542 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 14.0828 9.2759 10.3668 8.75242 5.79195 9.35049 12.1681 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 6.9268 4.82356 4.63862 15.4372 8.76088 13.1234 8.75242 5.79195 9.35049 9.34083 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 9.56319 8.22722 6.208 14.3149 8.8353 14.0891 13.3296 9.38308 6.67937 18.1081 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 9.73038 8.52036 6.208 17.9749 8.8353 14.0891 6.49614 9.38308 6.67937 18.1081 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 8.19166 8.83476 4.63862 11.5586 9.2759 10.3668 6.45333 5.79195 9.35049 12.1681 numMergedOcc 0
13 mol 133 unq 5 iso 0 dist 8.19166 8.83476 4.63862 14.3705 8.76088 13.1234 6.45333 5.79195 9.35049 9.34083 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 5.21088 5.05414 3.9335 4.65303 7.36571 5.03588 8.19854 9.3964 5.5223 6.07205 numMergedOcc 0
15 mol 192 unq 1 iso 0 dist 5.21088 7.16964 5.31881 4.65303 7.36571 9.37889 8.19854 9.3964 8.00501 6.07205 numMergedOcc 0
16 mol 192 unq 2 iso 0 dist 9.78743 5.05414 10.6325 13.2525 6.2016 15.7742 8.19854 10.4355 5.5223 15.9926 numMergedOcc 0
17 mol 192 unq 3 iso 0 dist 9.78743 5.05414 10.6325 13.2525 6.2016 15.7742 4.65303 12.4457 5.03588 16.6461 numMergedOcc 0
18 mol 192 unq 4 iso 0 dist 9.78743 7.16964 7.64178 13.2525 6.2016 12.9612 8.19854 10.4355 8.00501 15.9926 numMergedOcc 0
19 mol 192 unq 5 iso 0 dist 8.25609 5.05414 10.6087 4.65303 9.17137 5.03588 8.19854 14.7669 5.5223 6.07205 numMergedOcc 0
20 mol 192 unq 6 iso 0 dist 8.25609 7.16964 13.6786 4.65303 9.17137 9.37889 8.19854 14.7669 8.00501 6.07205 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 5.9223 6.61322 5.05766 10.1932 7.53199 10.2898 9.26732 8.58092 5.94328 8.76629 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 5.9223 6.61322 5.05766 10.1932 7.53199 10.2898 6.72414 7.40014 7.91978 5.62532 numMergedOcc 0
23 mol 258 unq 2 iso 0 dist 5.9223 6.61322 5.05766 9.26732 8.58092 5.94328 6.72414 7.40014 7.91978 5.64447 numMergedOcc 0
24 mol 258 unq 3 iso 0 dist 5.9223 6.61322 5.05766 6.72414 7.40014 7.91978 9.26732 8.58092 5.94328 5.64447 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 7.38536 5.28731 3.57803 6.37482 6.32984 7.08681 9.97666 13.2077 9.66678 14.9873 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 5.66584 10.9141 9.31611 10.6227 numMergedOcc 0
27 mol 287 unq 1 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 5.27724 10.2812 6.25845 10.6227 numMergedOcc 0
28 mol 287 unq 2 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 5.27724 11.2356 6.25845 10.6227 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 5.66584 10.9141 9.31611 10.6227 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 5.27724 10.2812 6.25845 10.6227 numMergedOcc 0
31 mol 288 unq 2 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 5.27724 11.2356 6.25845 10.6227 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 5.66584 10.9141 9.31611 10.6227 numMergedOcc 0
33 mol 289 unq 1 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 5.27724 10.2812 6.25845 10.6227 numMergedOcc 0
34 mol 289 unq 2 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 5.27724 11.2356 6.25845 10.6227 numMergedOcc 0
