0 mol 10 unq 0 iso 0 dist 7.74463 11.1641 6.77807 12.2988 4.75564 8.98746 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.2551 13.6047 9.2146 19.7569 14.8033 8.79638 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 7.2551 13.6047 9.2146 19.7294 14.2352 6.42785 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 7.2551 13.6047 9.2146 13.0188 6.51818 5.75809 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 7.7124 8.02028 5.70939 14.4976 7.57143 7.90158 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 8.33185 11.193 9.87354 14.1794 10.5814 7.70636 numMergedOcc 0
6 mol 116 unq 1 iso 0 dist 8.33185 11.193 9.87354 15.5674 15.5585 6.82267 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 9.53944 12.6695 9.44964 16.4482 10.6766 5.78626 numMergedOcc 0
8 mol 158 unq 1 iso 0 dist 9.53944 12.6695 9.44964 17.3766 9.34897 9.8417 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 5.61979 5.36021 8.07678 10.0965 6.6483 9.91132 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 6.75579 3.50159 4.97301 11.6365 7.41929 8.27988 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 8.31266 7.27859 9.07313 10.6655 6.13343 8.06328 numMergedOcc 0
12 mol 251 unq 0 iso 0 dist 6.67075 10.4897 7.72528 13.9939 7.52349 9.20256 numMergedOcc 0
13 mol 285 unq 0 iso 0 dist 6.24134 4.57431 7.73438 12.5071 13.1313 8.38399 numMergedOcc 0
