0 mol 7 unq 0 iso 0 dist 6.28925 6.81066 9.23292 5.03847 6.04832 11.5208 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.47838 7.39855 6.47454 11.8617 7.2707 13.3866 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.47838 7.39855 6.47454 9.55673 8.99816 14.0161 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 7.47838 7.39855 6.47454 6.96891 5.96667 11.0203 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 8.07369 9.80484 14.4423 10.0989 9.36902 19.4076 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 8.63502 7.88714 7.8102 10.7474 7.38744 11.8968 numMergedOcc 0
6 mol 15 unq 1 iso 0 dist 8.63502 7.88714 7.8102 8.72342 9.41935 13.999 numMergedOcc 0
7 mol 20 unq 0 iso 0 dist 9.8099 7.16149 7.34326 10.0815 6.85224 9.39331 numMergedOcc 0
8 mol 20 unq 1 iso 0 dist 9.8099 7.16149 7.34326 13.457 8.04657 6.86736 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 7.56581 8.41018 8.91875 6.4484 7.04671 11.3213 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 4.5985 7.69401 7.7565 6.12107 8.95014 13.3778 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 4.5985 7.69401 7.7565 5.42531 6.84692 12.8962 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 4.5985 7.69401 7.7565 4.86592 5.74152 9.97663 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 4.5985 6.92671 7.03319 6.12107 8.95014 6.97739 numMergedOcc 0
14 mol 100 unq 4 iso 0 dist 4.5985 6.92671 7.03319 5.42531 6.84692 8.4705 numMergedOcc 0
15 mol 100 unq 5 iso 0 dist 4.5985 6.92671 7.03319 4.86592 5.74152 11.0026 numMergedOcc 0
16 mol 100 unq 6 iso 0 dist 8.20656 7.98814 4.49046 12.5531 8.95014 12.5642 numMergedOcc 0
17 mol 100 unq 7 iso 0 dist 8.20656 7.98814 4.49046 8.4128 6.84692 10.215 numMergedOcc 0
18 mol 100 unq 8 iso 0 dist 8.20656 7.98814 4.49046 7.96533 5.74152 9.37296 numMergedOcc 0
19 mol 170 unq 0 iso 0 dist 6.36868 6.01758 4.08765 9.275 8.20406 9.85825 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 5.82585 8.32738 4.34915 9.73871 6.50352 10.3265 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 4.90825 4.98125 3.49996 4.51687 5.80674 8.11761 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 5.52084 9.73419 14.8651 4.62682 5.80674 13.1389 numMergedOcc 0
23 mol 206 unq 2 iso 0 dist 5.52084 9.99824 10.2897 4.62682 5.80674 13.7131 numMergedOcc 0
24 mol 206 unq 3 iso 0 dist 6.29592 8.00214 6.65948 9.54789 7.17033 11.7139 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 6.92434 8.98154 6.14786 5.29529 5.0002 9.71673 numMergedOcc 0
