0 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 9.42167 4.87192 7.6222 8.6586 4.21283 8.23075 7.18124 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.70141 13.2653 4.93188 9.42167 4.87192 7.6222 13.2236 4.97191 4.7841 6.47026 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.97432 6.17631 5.81959 4.11406 5.44124 5.52519 11.3003 6.32857 7.03372 9.94731 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 6.13391 6.0968 6.98934 4.05728 8.3642 8.87718 10.6073 9.53672 7.60162 10.6912 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 6.13391 6.0968 6.98934 3.26359 4.31261 4.72999 10.6073 9.53672 7.60162 10.3844 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 9.27951 5.89379 8.93905 13.2271 9.23243 12.4334 9.16089 9.23272 6.42623 16.3967 numMergedOcc 0
6 mol 120 unq 1 iso 0 dist 9.27951 5.89379 8.93905 13.2271 9.23243 12.4334 14.6365 14.3708 8.95899 17.7931 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 8.48559 6.46702 6.20182 10.7014 6.00293 5.05715 9.067 5.21512 7.93088 9.67872 numMergedOcc 0
8 mol 163 unq 0 iso 0 dist 5.80513 4.12904 8.38738 7.55428 7.27002 10.1139 11.9872 15.2764 9.90947 19.4167 numMergedOcc 0
9 mol 163 unq 1 iso 0 dist 5.80513 4.12904 8.38738 7.55428 7.27002 10.1139 9.37245 12.99 8.16252 16.9215 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 9.86028 7.39369 11.1912 15.1012 7.82899 9.52922 9.72328 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 7.31388 3.84723 5.37446 9.54557 9.40123 7.09658 9.25184 7.61953 6.85824 12.3489 numMergedOcc 0
12 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 10.8851 7.35934 11.6095 18.419 10.2659 5.77749 12.4025 numMergedOcc 0
13 mol 285 unq 0 iso 0 dist 6.89391 4.16039 5.31728 8.06603 5.04032 6.40962 9.59733 4.12133 6.71946 7.8605 numMergedOcc 0
14 mol 285 unq 1 iso 0 dist 6.89391 4.16039 5.31728 8.06603 5.04032 6.40962 9.51087 10.3898 8.28061 14.0418 numMergedOcc 0
15 mol 285 unq 2 iso 0 dist 6.89391 4.16039 5.31728 8.06603 5.04032 6.40962 5.28731 6.89311 5.03601 10.4548 numMergedOcc 0
