0 mol 18 unq 0 iso 0 dist 9.04157 9.99878 9.7728 16.8389 12.7873 8.2056 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 5.23167 11.7209 9.1926 16.8768 12.8256 7.92027 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 7.47607 13.1832 9.1926 16.7776 12.8256 7.92027 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 9.94133 4.39945 9.64361 9.71591 6.08409 8.40399 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 7.40983 8.67044 7.22615 15.7132 11.4071 7.57442 numMergedOcc 0
5 mol 96 unq 1 iso 0 dist 7.40983 8.67044 7.22615 12.0919 5.76401 8.73938 numMergedOcc 0
6 mol 185 unq 0 iso 0 dist 9.62449 4.03855 8.60009 8.86187 3.15736 7.5578 numMergedOcc 0
7 mol 185 unq 1 iso 0 dist 9.62449 4.03855 8.60009 9.27825 5.80135 6.06763 numMergedOcc 0
8 mol 225 unq 0 iso 0 dist 7.22151 4.40718 5.65735 12.4361 7.3107 9.58385 numMergedOcc 0
9 mol 225 unq 1 iso 0 dist 7.22151 4.40718 5.65735 10.9262 6.9328 6.83539 numMergedOcc 0
10 mol 225 unq 2 iso 0 dist 7.22151 4.40718 5.65735 9.60654 3.90226 6.22747 numMergedOcc 0
11 mol 225 unq 3 iso 0 dist 7.22151 4.40718 5.65735 7.11262 6.59432 9.21404 numMergedOcc 0
12 mol 243 unq 0 iso 0 dist 8.35328 5.23854 7.39884 9.6748 3.79865 6.81644 numMergedOcc 0
13 mol 264 unq 0 iso 0 dist 9.05194 5.495 6.67548 9.51483 4.95134 8.73749 numMergedOcc 0
14 mol 264 unq 1 iso 0 dist 9.02526 5.495 5.57579 9.51483 4.79249 8.73749 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 7.51951 4.00824 9.2684 11.7839 9.75276 9.8678 numMergedOcc 0
16 mol 266 unq 1 iso 0 dist 7.51951 4.00824 9.2684 11.0611 12.1799 8.00278 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 6.82335 11.0879 8.81999 11.2983 4.93923 8.74181 numMergedOcc 0
18 mol 294 unq 1 iso 0 dist 6.82335 11.0879 8.81999 16.3703 10.6017 8.96987 numMergedOcc 0
19 mol 294 unq 2 iso 0 dist 9.14005 14.7951 8.81999 13.5849 4.93923 8.74181 numMergedOcc 0
20 mol 294 unq 3 iso 0 dist 9.14005 14.7951 8.81999 19.1946 10.6017 8.96987 numMergedOcc 0
