0 mol 1 unq 0 iso 0 dist 8.10712 8.93702 11.6941 5.99543 10.9054 8.56884 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 7.70037 8.71627 6.51655 4.59504 8.24121 7.04352 numMergedOcc 0
2 mol 94 unq 0 iso 0 dist 6.63924 6.64613 6.8527 4.7907 10.1568 8.3586 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 7.11102 5.43229 5.80806 5.98221 12.2331 7.76729 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 9.70001 9.80337 7.46934 10.3931 12.7318 7.34519 numMergedOcc 0
5 mol 127 unq 1 iso 0 dist 9.70001 9.80337 7.46934 5.84594 10.7413 8.58999 numMergedOcc 0
6 mol 127 unq 2 iso 0 dist 9.70001 9.80337 7.46934 5.0826 10.4139 6.63981 numMergedOcc 0
7 mol 140 unq 0 iso 0 dist 7.01323 9.7944 7.15311 10.2481 11.5184 6.95323 numMergedOcc 0
8 mol 140 unq 1 iso 0 dist 7.01323 9.7944 7.15311 7.49203 10.5194 7.27371 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 7.10839 7.13287 4.85796 5.01665 10.0841 7.31468 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 7.10839 7.13287 4.85796 4.9475 8.90592 7.7056 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 6.1274 9.70106 5.49358 7.52846 9.91732 9.38946 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.614 9.34871 13.6798 4.89429 13.565 7.20046 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.614 5.55727 7.55918 4.89429 13.565 7.13543 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 8.01521 5.79707 8.33972 5.56399 8.57361 6.50241 numMergedOcc 0
15 mol 209 unq 0 iso 0 dist 9.20752 5.20111 5.80388 5.35615 11.2774 9.52027 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 8.76741 6.06804 5.17887 7.39364 6.095 5.86443 numMergedOcc 0
