0 mol 48 unq 0 iso 0 dist 8.38139 7.99735 5.0573 6.77802 5.7037 9.165 3.42062 9.07283 7.90416 9.05737 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 8.19721 6.30202 9.59858 7.49792 4.29679 7.90686 3.70802 6.51901 7.01397 4.46067 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.52742 9.37034 4.77114 8.15861 7.14242 4.8069 3.81285 6.56288 8.67342 6.67137 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 7.52742 9.37034 4.77114 8.15861 7.14242 4.8069 6.17121 5.97559 8.60062 7.04244 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 7.52742 9.37034 4.77114 9.27814 15.6495 17.0484 11.9486 19.0105 20.1157 4.18248 numMergedOcc 0
5 mol 85 unq 3 iso 0 dist 7.52742 6.60091 4.4924 8.15861 7.14242 10.0178 3.81285 6.56288 5.73739 6.67137 numMergedOcc 0
6 mol 85 unq 4 iso 0 dist 7.52742 6.60091 4.4924 8.15861 7.14242 10.0178 6.17121 5.97559 5.16225 7.04244 numMergedOcc 0
7 mol 85 unq 5 iso 0 dist 7.52742 6.60091 4.4924 9.27814 15.6495 14.189 11.9486 19.0105 17.465 4.18248 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 8.56629 6.24768 8.52343 8.55413 11.987 8.89777 9.53399 15.9742 9.53338 6.55227 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 8.56629 9.31875 12.1942 8.55413 11.987 12.5145 9.53399 15.9742 10.966 6.55227 numMergedOcc 0
10 mol 116 unq 2 iso 0 dist 7.56091 6.24768 5.93763 8.55413 6.88393 8.89777 9.53399 11.4135 9.53338 6.55227 numMergedOcc 0
11 mol 116 unq 3 iso 0 dist 7.56091 9.31875 10.3148 8.55413 6.88393 12.5145 9.53399 11.4135 10.966 6.55227 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 8.95504 7.36833 11.8638 8.00223 12.7977 11.2094 3.84631 12.2762 9.60931 6.85902 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 6.28379 9.46821 9.90504 6.45095 5.74821 12.8448 6.41178 11.4404 14.3949 7.83831 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 9.29279 9.46821 4.94129 6.45095 11.8995 12.8448 6.41178 15.3608 14.3949 7.83831 numMergedOcc 0
15 mol 281 unq 0 iso 0 dist 9.18565 7.90993 9.69803 7.43535 16.2801 12.4082 3.86368 9.05453 9.39268 7.90368 numMergedOcc 0
16 mol 283 unq 0 iso 0 dist 9.74822 8.57375 11.4035 7.17276 9.8348 7.97597 6.30031 13.1238 12.8647 7.31132 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 5.06731 4.75392 6.45653 8.15636 6.00938 5.15725 11.4888 11.2189 7.82157 6.24487 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 5.06731 8.61667 9.67944 8.15636 6.00938 7.46917 11.4888 11.2189 10.3879 6.24487 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 5.06731 4.75392 6.45653 8.15636 6.00938 5.15725 11.4888 11.2189 7.82157 6.24487 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 5.06731 8.61667 9.67944 8.15636 6.00938 7.46917 11.4888 11.2189 10.3879 6.24487 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 5.06731 4.75392 6.45653 8.15636 6.00938 5.15725 11.4888 11.2189 7.82157 6.24487 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 5.06731 8.61667 9.67944 8.15636 6.00938 7.46917 11.4888 11.2189 10.3879 6.24487 numMergedOcc 0
