0 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 5.71662 9.74445 7.67926 5.33298 8.95682 7.13085 10.7304 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 14.9559 8.38387 18.5048 9.74445 7.67926 13.2914 8.95682 7.13085 10.7304 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.81637 9.37897 6.36193 4.95437 7.84983 7.63046 6.18332 5.93884 4.37642 6.64072 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 6.92837 5.10938 9.8809 5.74577 9.57969 10.5183 6.56303 9.97775 7.30649 8.91076 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.96446 5.27016 8.4545 14.2688 7.86724 9.84923 15.5614 8.18107 12.49 6.04547 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.96446 5.27016 8.4545 14.2688 7.86724 9.84923 8.51558 5.9465 4.1125 5.97684 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 8.47907 5.08302 9.40018 6.85647 8.33083 3.45209 6.9595 9.23819 4.81033 7.09391 numMergedOcc 0
7 mol 122 unq 1 iso 0 dist 8.47907 5.08302 9.40018 6.85647 8.33083 3.45209 10.577 8.88537 9.33734 10.4589 numMergedOcc 0
8 mol 122 unq 2 iso 0 dist 8.47907 11.2519 6.78949 6.85647 8.33083 9.13822 6.9595 9.23819 6.93382 7.09391 numMergedOcc 0
9 mol 122 unq 3 iso 0 dist 8.47907 11.2519 6.78949 6.85647 8.33083 9.13822 10.577 8.88537 4.21285 10.4589 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 8.78509 13.7707 7.30954 12.526 9.03194 8.67242 5.41751 7.33273 13.8868 11.2154 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 9.36732 5.01554 8.79558 7.21567 6.76923 3.60144 9.71153 6.86319 11.4857 9.91514 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 7.49412 10.8749 7.89744 11.7007 9.31246 5.972 6.4298 7.1686 5.55311 5.87054 numMergedOcc 0
13 mol 236 unq 1 iso 0 dist 7.49412 7.38199 8.6417 11.7007 9.31246 5.91643 6.4298 7.1686 4.28296 5.87054 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 8.82778 12.0443 6.44212 12.7518 6.37342 11.0479 15.4125 8.84636 8.28901 7.48655 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 8.23536 9.23513 9.10633 4.56189 9.72526 11.4382 4.45211 7.89524 4.85571 7.18308 numMergedOcc 0
16 mol 241 unq 1 iso 0 dist 6.90245 3.92006 9.10633 10.121 9.72526 11.4382 5.69979 7.89524 4.85571 7.18308 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 9.70918 6.79021 8.39644 10.0566 9.82043 8.59586 4.92061 8.68707 4.01393 5.93645 numMergedOcc 0
