0 mol 33 unq 0 iso 0 dist 8.5865 4.33242 6.42569 7.39517 9.13872 3.81436 numMergedOcc 0
1 mol 33 unq 0 iso 1 dist 8.5865 7.39517 9.13872 4.33242 6.42569 3.81436 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 8.5865 4.33242 6.42569 8.75964 7.27307 4.59375 numMergedOcc 0
3 mol 33 unq 1 iso 1 dist 8.5865 8.75964 7.27307 4.33242 6.42569 4.59375 numMergedOcc 0
4 mol 33 unq 2 iso 0 dist 8.5865 4.33242 6.42569 12.4737 5.73206 8.78909 numMergedOcc 0
5 mol 33 unq 2 iso 1 dist 8.5865 12.4737 5.73206 4.33242 6.42569 8.78909 numMergedOcc 0
6 mol 33 unq 1 iso 0 dist 8.5865 7.39517 9.13872 8.75964 7.27307 3.8653 numMergedOcc 0
7 mol 33 unq 1 iso 1 dist 8.5865 8.75964 7.27307 7.39517 9.13872 3.8653 numMergedOcc 0
8 mol 33 unq 2 iso 0 dist 8.5865 7.39517 9.13872 12.4737 5.73206 9.45612 numMergedOcc 0
9 mol 33 unq 2 iso 1 dist 8.5865 12.4737 5.73206 7.39517 9.13872 9.45612 numMergedOcc 0
10 mol 33 unq 2 iso 0 dist 8.5865 8.75964 7.27307 12.4737 5.73206 6.05212 numMergedOcc 0
11 mol 33 unq 2 iso 1 dist 8.5865 12.4737 5.73206 8.75964 7.27307 6.05212 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 5.99879 9.96747 9.51017 4.23367 8.47212 7.43516 numMergedOcc 0
13 mol 54 unq 0 iso 1 dist 5.99879 4.23367 8.47212 9.96747 9.51017 7.43516 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 7.63813 5.19612 8.92491 9.45571 7.41861 12.5963 numMergedOcc 0
15 mol 76 unq 0 iso 1 dist 7.63813 9.45571 7.41861 5.19612 8.92491 12.5963 numMergedOcc 0
16 mol 83 unq 0 iso 0 dist 9.90769 10.6504 6.77845 6.65429 5.48555 6.07706 numMergedOcc 0
17 mol 83 unq 0 iso 1 dist 9.90769 6.65429 5.48555 10.6504 6.77845 6.07706 numMergedOcc 0
18 mol 83 unq 1 iso 0 dist 9.90769 10.6504 6.77845 9.4696 5.39805 5.8054 numMergedOcc 0
19 mol 83 unq 1 iso 1 dist 9.90769 9.4696 5.39805 10.6504 6.77845 5.8054 numMergedOcc 0
20 mol 83 unq 1 iso 0 dist 9.90769 6.65429 5.48555 9.4696 5.39805 7.55807 numMergedOcc 0
21 mol 83 unq 1 iso 1 dist 9.90769 9.4696 5.39805 6.65429 5.48555 7.55807 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 7.78572 3.84554 8.17814 7.90816 9.14434 11.1012 numMergedOcc 0
23 mol 130 unq 0 iso 1 dist 7.78572 7.90816 9.14434 3.84554 8.17814 11.1012 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 8.61918 7.49664 6.9268 14.1334 8.19166 7.57921 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 8.61918 14.1334 8.19166 7.49664 6.9268 7.57921 numMergedOcc 0
26 mol 183 unq 0 iso 0 dist 8.22495 7.86281 7.67623 10.7207 7.99897 8.32506 numMergedOcc 0
27 mol 183 unq 0 iso 1 dist 8.22495 10.7207 7.99897 7.86281 7.67623 8.32506 numMergedOcc 0
28 mol 183 unq 1 iso 0 dist 8.22495 7.86281 7.67623 5.50571 7.58913 10.199 numMergedOcc 0
29 mol 183 unq 1 iso 1 dist 8.22495 5.50571 7.58913 7.86281 7.67623 10.199 numMergedOcc 0
30 mol 183 unq 1 iso 0 dist 8.22495 10.7207 7.99897 5.50571 7.58913 8.1541 numMergedOcc 0
31 mol 183 unq 1 iso 1 dist 8.22495 5.50571 7.58913 10.7207 7.99897 8.1541 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 6.77267 7.74816 4.53228 6.45423 8.54078 6.04459 numMergedOcc 0
33 mol 239 unq 0 iso 1 dist 6.77267 6.45423 8.54078 7.74816 4.53228 6.04459 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 6.77021 9.56613 8.53084 3.89286 5.9223 8.6851 numMergedOcc 0
35 mol 258 unq 0 iso 1 dist 6.77021 3.89286 5.9223 9.56613 8.53084 8.6851 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 6.64109 11.3601 8.5774 14.6525 9.94957 10.4994 numMergedOcc 0
37 mol 265 unq 0 iso 1 dist 6.64109 14.6525 9.94957 11.3601 8.5774 10.4994 numMergedOcc 0
38 mol 265 unq 1 iso 0 dist 6.64109 11.3601 8.5774 13.3527 8.01664 5.78969 numMergedOcc 0
39 mol 265 unq 1 iso 1 dist 6.64109 13.3527 8.01664 11.3601 8.5774 5.78969 numMergedOcc 0
40 mol 265 unq 1 iso 0 dist 6.64109 14.6525 9.94957 13.3527 8.01664 5.97995 numMergedOcc 0
41 mol 265 unq 1 iso 1 dist 6.64109 13.3527 8.01664 14.6525 9.94957 5.97995 numMergedOcc 0
42 mol 265 unq 2 iso 0 dist 8.57593 10.9464 8.5774 14.3021 9.94957 10.4994 numMergedOcc 0
43 mol 265 unq 2 iso 1 dist 8.57593 14.3021 9.94957 10.9464 8.5774 10.4994 numMergedOcc 0
44 mol 265 unq 3 iso 0 dist 8.57593 10.9464 8.5774 13.514 8.01664 5.78969 numMergedOcc 0
45 mol 265 unq 3 iso 1 dist 8.57593 13.514 8.01664 10.9464 8.5774 5.78969 numMergedOcc 0
46 mol 265 unq 3 iso 0 dist 8.57593 14.3021 9.94957 13.514 8.01664 5.97995 numMergedOcc 0
47 mol 265 unq 3 iso 1 dist 8.57593 13.514 8.01664 14.3021 9.94957 5.97995 numMergedOcc 0
