0 mol 114 unq 0 iso 0 dist 7.50886 9.22317 9.86739 5.21101 9.83981 9.47219 numMergedOcc 0
1 mol 114 unq 1 iso 0 dist 7.50886 10.9258 8.39249 5.21101 9.83981 14.0577 numMergedOcc 0
2 mol 114 unq 2 iso 0 dist 7.50886 5.48365 8.93623 5.21101 9.83981 10.6837 numMergedOcc 0
3 mol 114 unq 3 iso 0 dist 6.96057 9.24319 9.49413 3.88006 6.51395 9.47219 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.58063 10.3316 6.40036 4.08294 7.52142 9.65908 numMergedOcc 0
5 mol 155 unq 0 iso 0 dist 7.62575 4.40049 7.37901 8.61147 9.80845 5.50045 numMergedOcc 0
6 mol 155 unq 1 iso 0 dist 7.62575 4.40049 7.37901 5.45915 7.55196 6.40403 numMergedOcc 0
7 mol 173 unq 0 iso 0 dist 9.56248 18.0449 9.79554 7.6477 8.41245 12.6533 numMergedOcc 0
8 mol 173 unq 1 iso 0 dist 9.56248 18.0449 9.79554 5.04427 6.64779 15.1434 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 8.45395 7.58472 8.20656 12.0718 9.06217 14.048 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 9.15368 4.24915 8.20656 13.7282 9.06217 14.048 numMergedOcc 0
11 mol 181 unq 2 iso 0 dist 9.20477 5.70246 8.20656 10.6331 9.06217 14.048 numMergedOcc 0
12 mol 181 unq 3 iso 0 dist 5.41368 7.58472 9.40622 12.0718 7.13252 14.048 numMergedOcc 0
13 mol 181 unq 4 iso 0 dist 7.96182 4.24915 9.40622 13.7282 7.13252 14.048 numMergedOcc 0
14 mol 181 unq 5 iso 0 dist 7.90237 5.70246 9.40622 10.6331 7.13252 14.048 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 9.86352 8.39208 5.89018 4.32206 9.55606 8.92711 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 9.42374 5.43506 5.89018 8.11161 7.10526 7.34293 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 7.79085 12.48 9.86861 9.77057 7.10413 10.4271 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 6.48753 8.59775 9.86861 9.30551 7.10413 10.4271 numMergedOcc 0
19 mol 232 unq 2 iso 0 dist 7.83802 4.33622 9.86861 10.6834 7.10413 10.4271 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 9.74324 10.5623 7.27958 10.1825 6.54825 10.1944 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 8.19915 5.85485 7.27958 3.93066 7.95766 4.29892 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 5.648 6.21932 8.53287 10.2859 9.01462 12.0657 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 7.77265 7.69259 9.1101 3.87679 7.12785 4.78857 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 9.65322 7.69259 8.93338 3.87679 6.66959 4.78857 numMergedOcc 0
25 mol 243 unq 2 iso 0 dist 6.9453 4.12468 8.93338 5.40441 6.66959 4.78857 numMergedOcc 0
