0 mol 9 unq 0 iso 0 dist 9.87449 8.64915 10.9409 8.17347 8.50857 5.43306 4.98827 11.621 7.35972 9.93542 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.87449 8.64915 10.9409 7.83133 6.89307 11.3401 4.98827 11.621 7.35972 11.9655 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.87449 8.17347 8.50857 8.64915 10.9409 5.43306 4.98827 11.621 9.93542 7.35972 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 9.87449 8.17347 8.50857 7.83133 6.89307 6.8386 4.98827 11.621 9.93542 11.9655 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.53002 6.35398 7.5901 4.30695 11.9464 7.0964 10.9183 8.73067 7.98326 13.8519 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 9.53002 6.35398 7.5901 4.30695 11.9464 7.0964 9.99434 13.873 7.90478 11.1888 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.75144 7.33768 5.90981 9.01567 13.2265 7.88693 6.66749 13.2857 8.00171 4.2121 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 9.75144 7.33768 5.90981 7.29868 13.719 10.2653 6.66749 13.2857 8.00171 6.72323 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.75144 9.01567 13.2265 7.33768 5.90981 7.88693 6.66749 13.2857 4.2121 8.00171 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 9.75144 9.01567 13.2265 7.29868 13.719 6.16544 6.66749 13.2857 4.2121 6.72323 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 9.75144 7.29868 13.719 7.33768 5.90981 10.2653 6.66749 13.2857 6.72323 8.00171 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 9.75144 7.29868 13.719 9.01567 13.2265 6.16544 6.66749 13.2857 6.72323 4.2121 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 7.75343 8.30845 10.0891 8.76378 4.44538 13.3504 15.3454 11.9163 9.5057 16.2173 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 7.36119 7.30357 11.9671 8.61587 8.69711 6.12113 5.81563 6.05323 8.21184 5.9976 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 7.36119 7.30357 11.9671 8.61587 8.69711 6.12113 5.52796 9.81983 5.41575 6.86566 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 7.36119 8.61587 8.69711 7.30357 11.9671 6.12113 5.81563 6.05323 5.9976 8.21184 numMergedOcc 0
16 mol 156 unq 3 iso 0 dist 7.36119 8.61587 8.69711 7.30357 11.9671 6.12113 5.52796 9.81983 6.86566 5.41575 numMergedOcc 0
17 mol 156 unq 4 iso 0 dist 9.36805 9.44367 10.143 9.47433 10.0003 16.7026 5.71511 10.735 8.37434 14.1424 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.20046 9.72611 9.87435 7.99195 4.69841 12.1167 12.7358 14.6631 7.22883 17.8426 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 7.20046 7.99195 4.69841 9.72611 9.87435 12.1167 12.2164 11.913 7.32087 17.8851 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 7.20046 7.99195 4.69841 9.72611 9.87435 12.1167 5.77299 10.0659 8.86197 15.3124 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 7.13543 9.72611 14.6648 7.99195 7.23063 12.1167 12.7358 17.8119 7.22883 17.8426 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 7.13543 7.99195 7.23063 9.72611 14.6648 12.1167 12.2164 11.5642 7.32087 17.8851 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 7.13543 7.99195 7.23063 9.72611 14.6648 12.1167 5.77299 6.32777 8.86197 15.3124 numMergedOcc 0
24 mol 181 unq 6 iso 0 dist 6.93764 5.9176 5.60306 6.41453 6.05477 9.53592 6.29863 9.93639 7.22883 11.8112 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 5.48258 6.72379 4.26755 8.29382 4.79043 6.7294 7.11753 8.52969 6.38324 12.3845 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 6.15769 6.72379 10.0315 8.29382 6.56076 6.7294 7.11753 12.9874 6.38324 12.3845 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 5.65339 6.21292 7.96337 6.95126 4.29892 10.2834 7.77516 6.54825 6.94789 10.7602 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 9.90142 8.69104 15.6823 7.57812 10.3147 6.25098 8.1195 17.5954 5.92374 10.6756 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 6.39866 4.60275 10.7637 6.52035 14.1967 7.75216 12.0228 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 9.19234 6.39866 4.60275 9.45514 12.625 10.7637 6.16703 11.4246 6.88827 10.6742 numMergedOcc 0
31 mol 274 unq 2 iso 0 dist 9.19234 6.39866 4.60275 9.45514 12.625 10.7637 5.64601 9.20749 9.16942 10.083 numMergedOcc 0
