0 mol 99 unq 0 iso 0 dist 8.17659 11.6478 7.46413 4.05486 5.43108 9.88136 numMergedOcc 0
1 mol 99 unq 1 iso 0 dist 4.69052 6.43058 7.46413 4.19068 5.43108 9.88136 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 9.5608 12.7118 8.70098 8.6912 8.29395 9.52523 numMergedOcc 0
3 mol 119 unq 1 iso 0 dist 9.14589 9.51272 8.70098 5.74293 8.29395 9.52523 numMergedOcc 0
4 mol 168 unq 0 iso 0 dist 5.45739 10.5513 9.86758 4.18108 6.24232 11.7481 numMergedOcc 0
5 mol 168 unq 1 iso 0 dist 5.45739 10.5513 9.86758 3.6038 6.13116 7.27466 numMergedOcc 0
6 mol 168 unq 2 iso 0 dist 6.9335 9.53489 9.86758 8.29185 6.24232 11.7481 numMergedOcc 0
7 mol 168 unq 3 iso 0 dist 6.9335 9.53489 9.86758 4.88037 6.13116 7.27466 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 4.77856 5.36769 9.55055 6.5732 9.03941 9.55863 numMergedOcc 0
9 mol 169 unq 1 iso 0 dist 4.77856 5.36769 9.55055 5.45142 8.69094 5.7327 numMergedOcc 0
10 mol 213 unq 0 iso 0 dist 8.90975 7.14994 8.17498 3.57799 6.19516 7.73082 numMergedOcc 0
11 mol 276 unq 0 iso 0 dist 5.39708 8.23967 8.02433 13.1666 9.97709 16.5235 numMergedOcc 0
12 mol 284 unq 0 iso 0 dist 6.36106 14.4291 9.40824 4.16786 4.69611 10.676 numMergedOcc 0
13 mol 284 unq 1 iso 0 dist 6.36106 12.0066 6.1324 4.16786 4.69611 8.82223 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 7.3522 6.70425 7.39418 4.11081 6.17759 4.73745 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 7.3522 6.70425 7.39418 8.44024 8.20391 4.16431 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 7.3522 6.70425 7.39418 4.11081 6.17759 4.73745 numMergedOcc 0
17 mol 288 unq 1 iso 0 dist 7.3522 6.70425 7.39418 8.44024 8.20391 4.16431 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.3522 6.70425 7.39418 4.11081 6.17759 4.73745 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 7.3522 6.70425 7.39418 8.44024 8.20391 4.16431 numMergedOcc 0
