0 mol 2 unq 0 iso 0 dist 6.52386 14.1164 9.74371 3.61797 6.3286 11.5183 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.84857 7.62195 8.41173 3.5165 6.64582 5.20935 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.85573 11.0282 8.23606 6.15821 8.96839 9.45345 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 6.21423 6.5318 8.23606 3.37774 8.96839 9.45345 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 6.50216 10.8401 7.95419 8.72926 8.75732 6.45116 numMergedOcc 0
5 mol 51 unq 1 iso 0 dist 6.50216 10.8401 7.95419 4.21163 6.01366 8.65732 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 6.97361 6.46237 5.61016 3.65691 8.66545 9.68539 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 8.52125 5.60763 7.11187 3.65691 6.03038 4.18245 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 8.52125 5.60763 7.11187 9.66133 9.21675 9.53861 numMergedOcc 0
9 mol 100 unq 3 iso 0 dist 8.52125 13.5152 6.60356 3.65691 6.03038 11.3097 numMergedOcc 0
10 mol 100 unq 4 iso 0 dist 8.52125 13.5152 6.60356 9.66133 9.21675 10.0584 numMergedOcc 0
11 mol 136 unq 0 iso 0 dist 9.87222 10.7093 9.33635 9.85349 9.23718 9.07261 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 5.89907 12.2991 8.40442 8.94242 9.63905 8.55089 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.56656 12.3775 9.68829 7.43067 9.83104 13.2974 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 8.56656 4.13623 7.75205 7.43067 9.83104 10.081 numMergedOcc 0
15 mol 219 unq 0 iso 0 dist 9.52151 7.00921 4.67452 4.24863 6.65093 5.39853 numMergedOcc 0
16 mol 219 unq 1 iso 0 dist 9.52151 10.3376 9.86916 4.24863 6.65093 11.6173 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 8.68803 6.54316 9.59937 13.1778 6.71734 10.7751 numMergedOcc 0
18 mol 244 unq 0 iso 0 dist 6.06284 5.45847 6.51428 3.60277 6.26442 7.92205 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 8.9297 4.65989 6.51449 8.93866 9.75866 11.3958 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 5.98006 7.78289 8.73077 6.95971 7.94491 13.1019 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 5.98006 5.73217 6.76656 6.95971 7.94491 12.1307 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 8.01368 13.0497 9.05509 8.1885 8.24853 5.84126 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 7.90132 5.37953 7.53773 3.27256 5.7378 5.25699 numMergedOcc 0
