0 mol 8 unq 0 iso 0 dist 8.94096 11.3346 9.07858 14.5611 7.12263 12.9762 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.07858 11.3346 8.94096 12.9762 7.12263 14.5611 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.94096 11.3346 9.07858 6.69972 5.00267 6.3125 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 9.07858 11.3346 8.94096 6.3125 5.00267 6.69972 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 7.25684 11.8158 8.22285 7.77807 5.38458 6.93413 numMergedOcc 0
5 mol 9 unq 0 iso 1 dist 8.22285 11.8158 7.25684 6.93413 5.38458 7.77807 numMergedOcc 0
6 mol 13 unq 0 iso 0 dist 8.00865 9.40499 9.11447 7.65383 9.10587 8.58799 numMergedOcc 0
7 mol 13 unq 0 iso 1 dist 9.11447 9.40499 8.00865 8.58799 9.10587 7.65383 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 6.93364 4.72138 6.34821 11.952 8.63361 11.0362 numMergedOcc 0
9 mol 34 unq 0 iso 1 dist 6.34821 4.72138 6.93364 11.0362 8.63361 11.952 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.87025 8.58342 5.85818 11.1324 8.03035 8.96522 numMergedOcc 0
11 mol 119 unq 0 iso 1 dist 5.85818 8.58342 9.87025 8.96522 8.03035 11.1324 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 5.1101 6.46698 7.01133 6.29593 9.23528 11.2831 numMergedOcc 0
13 mol 147 unq 0 iso 1 dist 7.01133 6.46698 5.1101 11.2831 9.23528 6.29593 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 9.47362 15.1287 6.28417 5.63464 9.71408 13.5582 numMergedOcc 0
15 mol 154 unq 0 iso 1 dist 6.28417 15.1287 9.47362 13.5582 9.71408 5.63464 numMergedOcc 0
16 mol 154 unq 1 iso 0 dist 7.53158 5.14555 7.43407 6.2969 9.14458 6.70864 numMergedOcc 0
17 mol 154 unq 1 iso 1 dist 7.43407 5.14555 7.53158 6.70864 9.14458 6.2969 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 8.49473 6.29254 6.87906 13.3907 5.90883 10.5496 numMergedOcc 0
19 mol 156 unq 0 iso 1 dist 6.87906 6.29254 8.49473 10.5496 5.90883 13.3907 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.49473 13.8529 7.94975 13.3907 5.90883 9.19336 numMergedOcc 0
21 mol 156 unq 1 iso 1 dist 7.94975 13.8529 8.49473 9.19336 5.90883 13.3907 numMergedOcc 0
22 mol 156 unq 2 iso 0 dist 8.49473 15.5923 9.39865 13.3907 5.90883 4.24398 numMergedOcc 0
23 mol 156 unq 2 iso 1 dist 9.39865 15.5923 8.49473 4.24398 5.90883 13.3907 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 6.87906 8.88109 7.94975 10.5496 5.90883 9.19336 numMergedOcc 0
25 mol 156 unq 1 iso 1 dist 7.94975 8.88109 6.87906 9.19336 5.90883 10.5496 numMergedOcc 0
26 mol 156 unq 2 iso 0 dist 6.87906 11.878 9.39865 10.5496 5.90883 4.24398 numMergedOcc 0
27 mol 156 unq 2 iso 1 dist 9.39865 11.878 6.87906 4.24398 5.90883 10.5496 numMergedOcc 0
28 mol 156 unq 3 iso 0 dist 9.54367 8.88109 7.26859 14.2138 4.9941 10.1294 numMergedOcc 0
29 mol 156 unq 3 iso 1 dist 7.26859 8.88109 9.54367 10.1294 4.9941 14.2138 numMergedOcc 0
30 mol 156 unq 4 iso 0 dist 9.54367 8.88109 7.26859 10.5496 8.06913 9.19336 numMergedOcc 0
31 mol 156 unq 4 iso 1 dist 7.26859 8.88109 9.54367 9.19336 8.06913 10.5496 numMergedOcc 0
32 mol 156 unq 2 iso 0 dist 7.94975 10.8989 9.39865 9.19336 5.90883 4.24398 numMergedOcc 0
33 mol 156 unq 2 iso 1 dist 9.39865 10.8989 7.94975 4.24398 5.90883 9.19336 numMergedOcc 0
34 mol 163 unq 0 iso 0 dist 8.21476 7.11179 7.66897 9.79955 7.3546 12.6283 numMergedOcc 0
35 mol 163 unq 0 iso 1 dist 7.66897 7.11179 8.21476 12.6283 7.3546 9.79955 numMergedOcc 0
36 mol 218 unq 0 iso 0 dist 6.86795 9.17818 6.61099 6.08698 8.93185 13.6339 numMergedOcc 0
37 mol 218 unq 0 iso 1 dist 6.61099 9.17818 6.86795 13.6339 8.93185 6.08698 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 9.20589 9.97427 7.89801 8.84427 9.56257 5.95112 numMergedOcc 0
39 mol 227 unq 0 iso 1 dist 7.89801 9.97427 9.20589 5.95112 9.56257 8.84427 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 7.61203 5.39292 9.47845 10.6355 9.89583 6.48619 numMergedOcc 0
41 mol 238 unq 0 iso 1 dist 9.47845 5.39292 7.61203 6.48619 9.89583 10.6355 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 7.61203 6.32518 6.92409 10.6355 9.89583 5.8333 numMergedOcc 0
43 mol 238 unq 1 iso 1 dist 6.92409 6.32518 7.61203 5.8333 9.89583 10.6355 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 7.61203 9.50847 6.89694 10.6355 9.89583 16.1577 numMergedOcc 0
45 mol 238 unq 2 iso 1 dist 6.89694 9.50847 7.61203 16.1577 9.89583 10.6355 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 9.47845 4.83721 6.92409 6.48619 9.89583 5.8333 numMergedOcc 0
47 mol 238 unq 1 iso 1 dist 6.92409 4.83721 9.47845 5.8333 9.89583 6.48619 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 9.47845 13.7203 6.89694 6.48619 9.89583 16.1577 numMergedOcc 0
49 mol 238 unq 2 iso 1 dist 6.89694 13.7203 9.47845 16.1577 9.89583 6.48619 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 6.92409 12.6266 6.89694 5.8333 9.89583 16.1577 numMergedOcc 0
51 mol 238 unq 2 iso 1 dist 6.89694 12.6266 6.92409 16.1577 9.89583 5.8333 numMergedOcc 0
52 mol 240 unq 0 iso 0 dist 8.33853 7.50503 5.66537 4.4268 9.53915 8.76585 numMergedOcc 0
53 mol 240 unq 0 iso 1 dist 5.66537 7.50503 8.33853 8.76585 9.53915 4.4268 numMergedOcc 0
