0 mol 30 unq 0 iso 0 dist 9.28932 8.50298 5.61656 6.01658 6.07517 8.74649 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 9.28932 12.5461 7.22242 6.01658 6.07517 10.9847 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 7.53042 7.22668 5.61656 8.34136 6.07517 8.74649 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 7.53042 5.11873 7.22242 8.34136 6.07517 10.9847 numMergedOcc 0
4 mol 30 unq 4 iso 0 dist 6.83481 8.50298 6.95343 6.01658 6.74179 8.74649 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 6.68311 13.3913 8.96978 8.89611 7.12321 6.82436 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.124 16.278 9.79143 15.7072 8.68662 12.8099 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.124 16.278 9.79143 15.2252 7.4369 10.4668 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.16299 5.9581 6.43377 6.52486 5.5087 4.25755 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 8.16299 5.9581 6.43377 10.9731 6.08682 6.08046 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 8.27015 13.8631 6.43377 13.0059 5.5087 4.25755 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 8.27015 13.8631 6.43377 14.1533 6.08682 6.08046 numMergedOcc 0
12 mol 86 unq 0 iso 0 dist 8.40609 11.4177 6.81209 4.74546 7.90423 11.0058 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.22596 5.37902 4.5985 12.9651 9.90751 10.3433 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 8.22596 5.37902 4.5985 13.0711 9.21662 8.59989 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 7.0318 9.50632 8.2236 7.5937 6.10127 3.96477 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.62648 10.2909 6.69217 12.6962 7.64052 10.9729 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.75141 13.512 8.96646 4.53609 8.22569 9.80335 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 9.75141 11.7928 7.2016 4.53609 8.22569 11.8408 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 6.83046 5.86234 5.45139 8.15025 6.73665 7.77371 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.85672 5.65753 8.47755 4.97003 5.90058 4.46882 numMergedOcc 0
