0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 11.3302 7.15287 6.22892 10.9688 6.06176 6.36911 5.13744 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 7.979 5.72175 8.17898 9.05346 6.2983 7.03948 12.0005 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 6.58793 7.83419 7.66905 7.61312 3.85308 9.22376 14.6315 11.6116 7.22293 13.0379 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 20.5555 13.1838 7.76275 16.3169 6.95868 9.2603 8.71166 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 5.74637 13.1838 7.76275 5.82918 6.95868 9.2603 8.71166 numMergedOcc 0
5 mol 88 unq 2 iso 0 dist 7.86537 4.0486 8.31336 5.74637 12.6939 7.76275 5.82918 6.97239 9.2603 8.71166 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.02717 11.0268 7.88312 10.2401 7.64822 9.56867 14.0848 11.7126 6.99777 7.97477 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 5.02717 11.0268 7.88312 10.2401 7.64822 9.56867 9.26862 4.62962 9.14376 6.58038 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 9.82219 4.99061 6.85677 12.0315 9.35964 9.80862 9.87733 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 6.18763 5.3154 6.18601 9.82219 4.99061 6.85677 10.2497 10.3457 8.43904 11.7378 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 9.00166 6.04014 6.2403 10.9124 9.92344 6.03703 6.58856 numMergedOcc 0
11 mol 132 unq 1 iso 0 dist 8.7366 4.90475 7.7059 7.16287 10.0823 6.495 10.9124 9.92344 6.03703 10.343 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.84952 12.9554 7.63312 16.849 12.5935 9.63295 14.2389 4.80231 6.93764 10.602 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 11.4498 9.97859 8.69148 7.35476 12.2813 6.82208 8.62626 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 14.5968 11.4653 4.79841 14.5909 9.36098 7.06793 5.64308 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 8.39002 9.98893 8.95269 14.5968 11.4653 4.79841 11.3096 5.29877 6.67585 7.32238 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 13.6852 4.88785 9.97357 10.3034 11.3552 7.17676 11.4732 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 13.6852 4.88785 9.97357 8.71945 11.6837 6.68463 14.1057 numMergedOcc 0
18 mol 236 unq 2 iso 0 dist 9.89665 11.247 7.68742 13.6852 4.88785 6.36941 10.3034 11.3552 5.34718 11.4732 numMergedOcc 0
19 mol 236 unq 3 iso 0 dist 9.05929 4.38595 8.35971 13.6852 16.5918 9.97357 10.3034 6.40312 7.17676 11.4732 numMergedOcc 0
20 mol 236 unq 4 iso 0 dist 9.05929 4.38595 8.35971 13.6852 16.5918 9.97357 8.71945 6.2568 6.68463 14.1057 numMergedOcc 0
21 mol 236 unq 5 iso 0 dist 5.66569 11.2013 9.99038 8.20542 10.2557 9.97357 6.98151 6.04825 7.17676 11.4732 numMergedOcc 0
22 mol 236 unq 6 iso 0 dist 5.66569 11.2013 9.99038 8.20542 10.2557 9.97357 12.9923 8.8265 6.68463 14.1057 numMergedOcc 0
23 mol 236 unq 7 iso 0 dist 5.66569 4.15973 6.27581 8.20542 10.2557 6.36941 6.98151 6.04825 5.34718 11.4732 numMergedOcc 0
24 mol 236 unq 8 iso 0 dist 6.11137 15.1664 9.99038 12.2537 10.2557 9.97357 9.91572 6.04825 7.17676 11.4732 numMergedOcc 0
25 mol 236 unq 9 iso 0 dist 6.11137 15.1664 9.99038 12.2537 10.2557 9.97357 14.8319 8.8265 6.68463 14.1057 numMergedOcc 0
26 mol 236 unq 10 iso 0 dist 6.11137 9.01197 6.27581 12.2537 10.2557 6.36941 9.91572 6.04825 5.34718 11.4732 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 7.38085 4.78295 8.82094 11.6311 6.64985 7.67853 10.6582 numMergedOcc 0
28 mol 272 unq 1 iso 0 dist 9.64596 5.26991 8.48753 11.6897 8.26567 9.80332 11.6311 6.64985 7.67853 5.96784 numMergedOcc 0
