0 mol 8 unq 0 iso 0 dist 9.68072 8.76702 9.62683 6.27477 7.08043 8.02605 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.68072 6.27477 7.08043 8.76702 9.62683 8.02605 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.99557 9.31319 15.919 8.2513 17.0196 7.32297 numMergedOcc 0
3 mol 46 unq 0 iso 1 dist 8.99557 8.2513 17.0196 9.31319 15.919 7.32297 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 8.63732 6.89185 6.6573 7.97217 4.41538 4.62896 numMergedOcc 0
5 mol 78 unq 0 iso 1 dist 8.63732 7.97217 4.41538 6.89185 6.6573 4.62896 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 7.50417 7.80757 4.4651 5.5849 9.31889 7.19663 numMergedOcc 0
7 mol 78 unq 1 iso 1 dist 7.50417 5.5849 9.31889 7.80757 4.4651 7.19663 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.34761 5.87387 5.74067 6.06543 4.1386 5.59517 numMergedOcc 0
9 mol 114 unq 0 iso 1 dist 6.34761 6.06543 4.1386 5.87387 5.74067 5.59517 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.74464 9.64856 12.906 6.38977 5.6098 7.50824 numMergedOcc 0
11 mol 131 unq 0 iso 1 dist 8.74464 6.38977 5.6098 9.64856 12.906 7.50824 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.74464 9.64856 12.906 9.69757 4.29914 11.0599 numMergedOcc 0
13 mol 131 unq 1 iso 1 dist 8.74464 9.69757 4.29914 9.64856 12.906 11.0599 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 8.74464 6.38977 5.6098 9.69757 4.29914 5.55373 numMergedOcc 0
15 mol 131 unq 1 iso 1 dist 8.74464 9.69757 4.29914 6.38977 5.6098 5.55373 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 8.6499 9.7168 12.8573 7.38138 8.61198 8.05787 numMergedOcc 0
17 mol 148 unq 0 iso 1 dist 8.6499 7.38138 8.61198 9.7168 12.8573 8.05787 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 8.75339 9.61132 12.8265 7.34423 8.68422 8.10457 numMergedOcc 0
19 mol 150 unq 0 iso 1 dist 8.75339 7.34423 8.68422 9.61132 12.8265 8.10457 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 6.99474 7.92766 10.6493 6.32652 4.30341 12.5143 numMergedOcc 0
21 mol 204 unq 0 iso 1 dist 6.99474 6.32652 4.30341 7.92766 10.6493 12.5143 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 8.59762 5.52981 4.94196 6.22077 10.4847 7.83217 numMergedOcc 0
23 mol 218 unq 0 iso 1 dist 8.59762 6.22077 10.4847 5.52981 4.94196 7.83217 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 9.42881 5.52981 11.7195 6.22077 4.67327 7.83217 numMergedOcc 0
25 mol 218 unq 1 iso 1 dist 9.42881 6.22077 4.67327 5.52981 11.7195 7.83217 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 6.79839 7.96424 8.20031 5.40366 4.56064 6.89336 numMergedOcc 0
27 mol 220 unq 0 iso 1 dist 6.79839 5.40366 4.56064 7.96424 8.20031 6.89336 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 6.79839 7.96424 8.20031 8.93637 8.0303 13.4403 numMergedOcc 0
29 mol 220 unq 1 iso 1 dist 6.79839 8.93637 8.0303 7.96424 8.20031 13.4403 numMergedOcc 0
30 mol 220 unq 1 iso 0 dist 6.79839 5.40366 4.56064 8.93637 8.0303 6.55533 numMergedOcc 0
31 mol 220 unq 1 iso 1 dist 6.79839 8.93637 8.0303 5.40366 4.56064 6.55533 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 7.49227 9.93154 8.65229 9.18218 13.0161 7.43198 numMergedOcc 0
33 mol 227 unq 0 iso 1 dist 7.49227 9.18218 13.0161 9.93154 8.65229 7.43198 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 7.49227 9.93154 8.65229 6.18486 11.8065 9.51866 numMergedOcc 0
35 mol 227 unq 1 iso 1 dist 7.49227 6.18486 11.8065 9.93154 8.65229 9.51866 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 7.49227 9.18218 13.0161 6.18486 11.8065 4.48529 numMergedOcc 0
37 mol 227 unq 1 iso 1 dist 7.49227 6.18486 11.8065 9.18218 13.0161 4.48529 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 6.37648 6.49599 7.49016 9.34738 6.30197 4.86771 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 6.37648 9.34738 6.30197 6.49599 7.49016 4.86771 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 6.37648 6.49599 7.49016 9.47382 9.84081 6.96053 numMergedOcc 0
41 mol 259 unq 1 iso 1 dist 6.37648 9.47382 9.84081 6.49599 7.49016 6.96053 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 6.37648 9.34738 6.30197 9.47382 9.84081 7.64658 numMergedOcc 0
43 mol 259 unq 1 iso 1 dist 6.37648 9.47382 9.84081 9.34738 6.30197 7.64658 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 5.19015 7.22438 8.31324 7.66615 9.38679 5.40809 numMergedOcc 0
45 mol 272 unq 0 iso 1 dist 5.19015 7.66615 9.38679 7.22438 8.31324 5.40809 numMergedOcc 0
46 mol 276 unq 0 iso 0 dist 9.63988 7.11272 14.3233 6.24808 10.8564 8.84158 numMergedOcc 0
47 mol 276 unq 0 iso 1 dist 9.63988 6.24808 10.8564 7.11272 14.3233 8.84158 numMergedOcc 0
48 mol 284 unq 0 iso 0 dist 9.00473 9.27402 4.45344 9.26573 5.88217 5.87439 numMergedOcc 0
49 mol 284 unq 0 iso 1 dist 9.00473 9.26573 5.88217 9.27402 4.45344 5.87439 numMergedOcc 0
