0 mol 44 unq 0 iso 0 dist 7.85573 10.1746 9.53901 9.64095 7.42925 13.4307 7.78905 6.07691 14.2564 9.6782 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.21423 9.23503 9.53901 4.83412 7.42925 13.4307 9.44909 6.07691 14.2564 9.6782 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.87177 12.5066 9.94312 4.53047 7.45801 9.37655 8.06168 4.49951 12.4858 6.02816 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.70925 4.71695 9.94312 7.05537 7.45801 9.37655 8.67532 4.49951 12.4858 6.02816 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.95756 7.02797 9.94312 11.9468 7.45801 9.37655 11.9045 4.49951 12.4858 6.02816 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.93688 13.3114 4.85152 11.6798 7.2131 5.47738 14.0535 6.82886 5.90776 5.37007 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.93688 13.3114 4.85152 12.656 7.44343 4.665 11.0291 11.8037 11.1915 6.95572 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 9.88184 13.3931 4.85152 11.0631 7.2131 5.47738 10.9783 6.82886 5.90776 5.37007 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 9.88184 13.3931 4.85152 14.9487 7.44343 4.665 16.1796 11.8037 11.1915 6.95572 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 9.82453 10.5469 7.58484 13.9156 8.06774 5.83671 20.2645 12.692 10.4011 9.01852 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.95914 3.80626 8.51265 10.9097 8.35864 9.00056 10.6673 10.4653 9.47675 9.97343 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.95914 3.80626 8.51265 10.9097 8.35864 9.00056 18.782 15.1845 16.9141 9.70413 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.76275 9.43849 7.99446 13.5286 9.62138 5.8155 19.4318 12.9372 11.6015 6.46461 numMergedOcc 0
13 mol 219 unq 0 iso 0 dist 9.52151 6.28221 7.98941 12.6614 9.30312 14.1483 10.5566 10.0509 14.4403 7.59632 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 6.11539 5.99119 7.33708 6.70882 6.23146 4.82887 11.3046 13.6402 12.2067 9.05071 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 6.11539 5.10642 4.46314 6.70882 6.23146 8.15893 11.3046 13.6402 12.5644 9.05071 numMergedOcc 0
16 mol 232 unq 2 iso 0 dist 9.71082 14.9027 7.33708 14.3107 6.23146 4.82887 17.5091 13.6402 12.2067 9.05071 numMergedOcc 0
17 mol 232 unq 3 iso 0 dist 9.71082 6.19573 4.46314 14.3107 6.23146 8.15893 17.5091 13.6402 12.5644 9.05071 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.98006 7.8775 9.16791 5.61261 9.69025 13.1939 8.06771 5.71237 13.8844 7.98231 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 5.98006 7.8775 9.16791 5.61261 9.69025 13.1939 11.1503 11.8501 18.6945 7.08526 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 6.98812 7.40176 8.19772 10.7881 7.49913 11.7401 7.04833 5.56416 11.7979 6.71375 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 8.14634 10.518 8.16746 5.15747 9.02661 6.84952 12.6706 17.306 12.1604 8.52587 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 8.14634 10.518 8.16746 5.15747 9.02661 6.84952 6.55855 10.2307 11.1412 6.39866 numMergedOcc 0
