0 mol 21 unq 0 iso 0 dist 6.08338 14.0241 9.35562 9.84542 4.20216 7.05407 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 7.45237 10.2083 7.30265 11.7171 5.88718 5.27182 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 7.45237 10.2083 7.30265 16.1457 9.13695 9.75289 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 7.45237 10.2083 7.30265 15.6429 10.424 9.12545 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 6.21982 5.31985 9.4866 6.72869 4.00608 9.59729 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.19682 15.4159 9.4866 9.85905 4.00608 9.59729 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 7.76729 6.63111 8.0168 6.24825 5.78043 7.65564 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 7.64585 6.95773 7.65255 6.39384 5.65471 7.65564 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 4.93785 5.71898 6.76746 9.81178 5.82984 9.92831 numMergedOcc 0
9 mol 195 unq 0 iso 0 dist 8.36117 6.04871 5.87439 12.662 4.89429 8.22795 numMergedOcc 0
10 mol 195 unq 1 iso 0 dist 6.77578 6.04871 8.18059 12.662 9.60056 8.22795 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 8.99696 17.0276 9.27218 18.8591 12.627 6.69042 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 8.45368 4.72944 5.461 7.94911 5.9858 7.90657 numMergedOcc 0
13 mol 213 unq 1 iso 0 dist 6.0965 10.1881 8.65196 15.41 11.0815 7.90657 numMergedOcc 0
14 mol 213 unq 2 iso 0 dist 9.59129 10.1881 5.461 15.41 5.9858 7.90657 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 7.46831 11.1534 8.70987 18.5607 17.0808 9.43017 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 8.60247 7.19184 8.70987 10.5549 17.0808 9.43017 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 8.17891 4.1511 7.79951 5.23634 4.09934 6.09335 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 6.95902 4.69247 7.79951 6.91318 4.09934 6.09335 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 9.43203 8.59528 8.24424 14.726 6.80416 9.01338 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.67322 5.71717 7.39547 9.12776 9.75095 4.66186 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.49471 6.82305 7.24334 8.69015 6.12722 4.66186 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 7.19008 5.71717 7.24334 9.12776 6.12722 4.66186 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 7.67853 5.12237 8.84523 10.3659 5.46368 8.55539 numMergedOcc 0
