0 mol 92 unq 0 iso 0 dist 9.96446 6.15011 8.70803 5.27016 8.4545 5.62309 8.51558 5.9465 6.77241 4.1125 numMergedOcc 0
1 mol 92 unq 1 iso 0 dist 6.70686 6.15011 8.87994 5.27016 7.01176 5.62309 8.51558 6.97962 6.77241 4.1125 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 7.42474 9.86487 5.76986 6.92638 7.53905 5.42828 11.57 9.28592 7.80873 6.62328 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 8.66715 9.29665 17.3196 13.3005 9.50322 21.4686 5.5502 12.817 6.84835 18.7903 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 8.66715 9.29665 17.3196 13.3005 9.50322 21.4686 8.24649 16.1663 8.42748 16.8634 numMergedOcc 0
5 mol 133 unq 2 iso 0 dist 9.00172 9.29665 16.1302 13.3005 5.82404 21.4686 5.5502 14.4764 6.84835 18.7903 numMergedOcc 0
6 mol 133 unq 3 iso 0 dist 9.00172 9.29665 16.1302 13.3005 5.82404 21.4686 8.24649 12.5696 8.42748 16.8634 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 8.84656 7.85849 5.29786 18.3189 9.60411 12.1527 6.64576 10.7586 6.40575 18.3345 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.09874 9.01017 6.06566 14.0799 9.58911 13.2834 5.06341 6.22122 7.32087 12.0718 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.52413 8.76308 8.14815 16.5529 8.03995 15.4618 9.75326 9.19 6.21159 16.8369 numMergedOcc 0
10 mol 265 unq 0 iso 0 dist 8.49415 7.87337 13.6299 8.73438 9.772 10.2019 4.80754 13.0923 8.984 12.2325 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 7.151 6.71956 6.28695 12.4082 9.77689 15.2129 7.01915 10.5329 8.20644 14.4283 numMergedOcc 0
12 mol 277 unq 1 iso 0 dist 7.151 6.71956 6.28695 7.47195 8.51931 10.5 7.01915 10.5329 8.20644 14.3929 numMergedOcc 0
13 mol 277 unq 2 iso 0 dist 8.53324 6.71956 4.37645 7.47195 8.96343 10.5 7.01915 12.1618 8.20644 14.3929 numMergedOcc 0
14 mol 277 unq 3 iso 0 dist 7.23956 6.71956 7.70529 12.7088 9.29635 16.1262 7.01915 10.8214 8.20644 18.1046 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 7.95849 8.25538 13.2859 8.55612 9.53313 10.1363 7.64544 13.0847 6.95912 6.15892 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 7.95849 8.25538 13.2859 4.91435 7.26542 8.42076 7.64544 13.0847 6.95912 5.89772 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.95849 8.25538 13.2859 8.55612 9.53313 10.1363 7.64544 13.0847 6.95912 6.15892 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 7.95849 8.25538 13.2859 4.91435 7.26542 8.42076 7.64544 13.0847 6.95912 5.89772 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.95849 8.25538 13.2859 8.55612 9.53313 10.1363 7.64544 13.0847 6.95912 6.15892 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 7.95849 8.25538 13.2859 4.91435 7.26542 8.42076 7.64544 13.0847 6.95912 5.89772 numMergedOcc 0
