0 mol 26 unq 0 iso 0 dist 8.06929 4.76147 5.69955 9.43688 6.81213 7.51406 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.58514 5.93227 5.69955 7.04006 6.81213 7.51406 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.41282 6.08005 9.63263 12.7706 12.5123 9.00543 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.10096 11.5552 6.77886 15.6641 6.5705 8.96238 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.48788 6.69791 5.88354 10.2005 10.8678 7.00285 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.48788 6.69791 5.88354 13.1965 13.5865 8.02354 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.48788 11.3525 8.8368 11.1068 9.70366 9.00692 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 5.48788 11.3525 8.8368 10.3651 7.63357 6.26542 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.70095 5.06206 7.12017 13.6052 7.04774 8.92577 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 9.70095 5.06206 7.12017 8.67615 10.3606 9.56324 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 8.28541 4.41283 7.71107 11.9145 10.1874 9.04546 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.92412 4.37081 6.69515 5.43078 7.97183 7.34465 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 8.92412 6.23566 7.86572 5.43078 7.97183 9.47675 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 6.97579 10.5394 6.69515 14.5271 7.97183 7.34465 numMergedOcc 0
14 mol 141 unq 3 iso 0 dist 6.97579 12.1215 7.86572 14.5271 7.97183 9.47675 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 9.96728 12.7239 7.62942 18.4685 9.80071 8.3705 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 6.73307 6.98531 6.29767 12.4069 14.3725 9.47932 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 7.84953 10.1782 9.20961 14.5923 11.3699 4.851 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 8.24118 10.2134 6.66971 10.8049 6.85179 5.67917 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 8.24118 12.8163 6.4398 10.8049 6.85179 8.96639 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.82933 12.4255 7.99477 17.3147 12.2193 8.21585 numMergedOcc 0
