0 mol 1 unq 0 iso 0 dist 7.68779 9.56692 5.11735 7.42008 11.3766 9.44115 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.68779 9.56692 5.11735 5.96722 6.4181 7.90928 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 8.28463 7.90154 10.1814 10.6589 16.4314 9.19658 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 8.60577 6.96665 11.3377 7.90807 15.425 7.09641 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.93949 8.81795 4.65281 8.92627 10.774 6.72151 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 6.89185 5.86276 5.22036 5.93341 11.0261 9.4909 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 6.89185 5.86276 5.22036 9.48025 13.9595 9.15288 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 7.97217 5.86276 5.7835 5.93341 9.44916 9.4909 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 7.97217 5.86276 5.7835 9.48025 13.5914 9.15288 numMergedOcc 0
9 mol 78 unq 4 iso 0 dist 7.80757 8.16546 4.92509 14.472 14.3902 9.4909 numMergedOcc 0
10 mol 78 unq 5 iso 0 dist 7.80757 8.16546 4.92509 15.4424 11.7809 9.15288 numMergedOcc 0
11 mol 78 unq 6 iso 0 dist 5.5849 8.16546 5.22036 14.472 11.0261 9.4909 numMergedOcc 0
12 mol 78 unq 7 iso 0 dist 5.5849 8.16546 5.22036 15.4424 13.9595 9.15288 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 5.94478 8.68825 6.80288 6.21393 10.1736 8.42487 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 7.68247 9.25461 6.62321 6.54244 9.36086 8.26654 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 6.22696 9.49122 5.2908 15.0474 13.2177 8.32685 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 6.22696 9.49122 5.2908 13.8252 10.9337 6.74777 numMergedOcc 0
17 mol 197 unq 2 iso 0 dist 6.22696 9.49122 5.2908 14.2846 12.045 9.62514 numMergedOcc 0
18 mol 197 unq 3 iso 0 dist 8.12158 9.49122 10.5397 15.0474 17.0176 8.32685 numMergedOcc 0
19 mol 197 unq 4 iso 0 dist 8.12158 9.49122 10.5397 13.8252 13.207 6.74777 numMergedOcc 0
20 mol 197 unq 5 iso 0 dist 8.12158 9.49122 10.5397 14.2846 11.7166 9.62514 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.82174 6.54661 6.20606 5.22428 10.6346 9.94175 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.82174 6.54661 6.20606 11.6082 6.24928 8.81534 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 9.2521 6.54661 10.4664 5.22428 13.9196 9.94175 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 9.2521 6.54661 10.4664 11.6082 11.3074 8.81534 numMergedOcc 0
25 mol 238 unq 4 iso 0 dist 8.51359 6.54661 13.3539 5.22428 11.2596 9.94175 numMergedOcc 0
26 mol 238 unq 5 iso 0 dist 8.51359 6.54661 13.3539 11.6082 14.244 8.81534 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 8.34646 9.59898 7.92362 8.43114 13.4339 8.97536 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 8.84268 7.15628 9.10274 11.7507 16.1327 7.12793 numMergedOcc 0
29 mol 294 unq 1 iso 0 dist 8.84268 7.15628 9.10274 11.1933 14.3208 6.21208 numMergedOcc 0
