0 mol 9 unq 0 iso 0 dist 8.47421 5.8245 3.91075 8.27962 9.29529 9.71516 3.98483 8.04924 7.05919 7.98363 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.47421 5.8245 3.91075 11.4878 7.2199 9.81658 3.98483 8.04924 7.05919 10.4204 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.99408 5.94756 4.51883 7.39653 8.13782 5.81001 6.18811 7.95778 7.72462 4.52443 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 8.66514 7.80898 7.15936 5.90098 7.71582 11.1055 5.31226 12.532 8.72458 11.1788 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 9.25235 7.80898 10.8763 5.90098 6.65776 11.1055 5.31226 13.5643 8.72458 11.1788 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.73814 5.7144 4.81369 12.1324 9.86739 10.4222 5.6074 8.11094 7.59156 7.70536 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 6.73814 5.7144 4.81369 6.95201 8.39249 5.51885 5.6074 8.11094 7.59156 4.69847 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 6.73814 5.7144 4.81369 5.9968 8.93623 10.4626 5.6074 8.11094 7.59156 5.83121 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.94837 7.99477 9.61537 5.9915 6.4218 6.57379 10.9332 15.6721 8.48313 13.6926 numMergedOcc 0
9 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 11.1059 8.74171 11.2873 12.2697 13.6335 9.62911 12.0493 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 10.7506 8.75834 8.91356 17.0241 12.4063 9.57955 16.9887 numMergedOcc 0
11 mol 225 unq 1 iso 0 dist 5.50387 8.1945 3.92979 10.7506 8.75834 8.91356 16.6392 12.5533 9.87668 8.99405 numMergedOcc 0
12 mol 225 unq 2 iso 0 dist 5.50387 8.1945 3.92979 7.12954 9.36396 9.59574 17.0241 12.4063 9.57955 15.7166 numMergedOcc 0
13 mol 225 unq 3 iso 0 dist 5.50387 8.1945 3.92979 7.12954 9.36396 9.59574 16.6392 12.5533 9.87668 18.6744 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 8.8709 6.152 11.5426 7.22396 10.841 9.43618 5.95112 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 8.17891 5.23634 4.09934 13.3557 7.95168 11.5426 10.5813 7.1372 9.43618 5.95112 numMergedOcc 0
16 mol 227 unq 2 iso 0 dist 6.95902 6.91318 4.09934 8.8709 7.95168 11.5426 7.22396 7.1372 9.43618 5.95112 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 5.56749 8.49841 9.11572 11.113 15.1385 9.08151 8.16702 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 9.5707 7.81215 11.8229 12.1076 9.6101 7.20293 11.113 15.1385 9.08151 11.7632 numMergedOcc 0
19 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 6.29366 5.32183 7.20293 5.52595 14.3251 9.08151 11.7632 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.02475 9.12776 13.037 8.82861 6.65088 9.84652 11.0349 11.0295 6.53286 5.88491 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.67322 9.12776 9.75095 8.82861 6.5772 9.84652 11.0349 7.61203 6.53286 5.88491 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 7.19008 9.12776 6.12722 8.82861 6.17025 9.84652 11.0349 6.89694 6.53286 5.88491 numMergedOcc 0
