0 mol 24 unq 0 iso 0 dist 6.54508 7.79911 3.33439 7.42417 5.78532 5.9372 10.5799 6.86136 4.11146 5.95834 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.54508 7.79911 3.33439 10.5851 8.49709 6.93597 10.5799 6.86136 4.11146 4.2121 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.63803 7.89667 8.86888 10.5687 6.07276 13.6671 16.9855 10.1622 18.7585 6.93197 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.57705 9.00872 7.0748 4.32712 8.02443 10.3715 8.17655 3.81317 9.83579 8.03296 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.57705 9.00872 7.0748 4.32712 8.02443 10.3715 6.47416 4.08868 5.29018 5.82754 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 8.57705 9.00872 7.0748 4.32712 8.02443 10.3715 11.8429 6.06691 11.6376 8.87742 numMergedOcc 0
6 mol 79 unq 3 iso 0 dist 8.57705 9.00872 7.0748 11.1935 9.09458 14.2918 8.17655 3.81317 9.83579 9.26979 numMergedOcc 0
7 mol 79 unq 4 iso 0 dist 8.57705 9.00872 7.0748 11.1935 9.09458 14.2918 6.47416 4.08868 5.29018 9.05679 numMergedOcc 0
8 mol 79 unq 5 iso 0 dist 8.57705 9.00872 7.0748 11.1935 9.09458 14.2918 11.8429 6.06691 11.6376 4.93468 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.54368 8.30746 7.35325 4.16536 8.98912 8.43964 11.7427 11.9597 7.08542 9.60622 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.54368 8.30746 7.35325 9.64683 8.93769 10.7471 11.7427 11.9597 7.08542 9.91054 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 8.3505 9.68556 17.213 11.9783 9.84703 20.4162 10.9995 3.94967 20.0255 7.36769 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 8.3505 9.68556 17.213 7.43001 4.62494 16.876 10.9995 3.94967 20.0255 6.88901 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 6.51523 7.06555 7.20382 4.98945 7.47964 10.2367 8.81813 11.4851 15.2115 5.25109 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 6.51523 7.06555 7.20382 4.98945 7.47964 10.2367 10.1083 12.9811 17.0029 8.21618 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 8.27396 9.10344 3.30691 12.4352 7.58375 10.6243 8.95598 4.67256 5.69882 7.54099 numMergedOcc 0
16 mol 196 unq 0 iso 0 dist 8.76076 9.34759 15.8037 4.0207 8.48879 13.1216 11.2801 5.40367 19.6744 9.62455 numMergedOcc 0
17 mol 196 unq 1 iso 0 dist 4.36496 9.34759 10.0295 4.0207 5.89591 13.1216 11.2801 11.2785 19.6744 9.62455 numMergedOcc 0
18 mol 196 unq 2 iso 0 dist 7.34995 9.34759 6.367 4.0207 9.72376 13.1216 11.2801 17.7382 19.6744 9.62455 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 5.39924 9.82099 14.4239 4.32578 7.39085 7.26232 10.5829 14.2323 3.66752 6.94789 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 4.97796 9.82713 10.6981 6.70266 9.65868 13.9254 9.44134 10.7442 9.92055 7.75216 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 4.97796 9.82713 10.6981 5.15747 8.60027 8.09181 9.11072 13.3632 8.87313 6.88827 numMergedOcc 0
22 mol 274 unq 2 iso 0 dist 4.97796 9.82713 10.6981 5.15747 8.60027 8.09181 6.83113 5.39432 6.97575 9.16942 numMergedOcc 0
