0 mol 46 unq 0 iso 0 dist 9.57343 6.46901 10.0786 9.30547 5.79552 6.97513 numMergedOcc 0
1 mol 46 unq 0 iso 1 dist 9.57343 9.30547 5.79552 6.46901 10.0786 6.97513 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 8.19835 5.93206 5.28557 7.73529 9.66892 6.14668 numMergedOcc 0
3 mol 109 unq 0 iso 1 dist 8.19835 7.73529 9.66892 5.93206 5.28557 6.14668 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 9.06373 6.9952 4.81545 9.30054 11.2125 9.9673 numMergedOcc 0
5 mol 123 unq 0 iso 1 dist 9.06373 9.30054 11.2125 6.9952 4.81545 9.9673 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 9.36937 5.32517 8.76554 7.6275 6.56049 3.57533 numMergedOcc 0
7 mol 128 unq 0 iso 1 dist 9.36937 7.6275 6.56049 5.32517 8.76554 3.57533 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 9.36937 5.32517 8.76554 7.4738 13.1723 10.0842 numMergedOcc 0
9 mol 128 unq 1 iso 1 dist 9.36937 7.4738 13.1723 5.32517 8.76554 10.0842 numMergedOcc 0
10 mol 128 unq 2 iso 0 dist 9.36937 5.32517 8.76554 8.88867 7.4928 11.7069 numMergedOcc 0
11 mol 128 unq 2 iso 1 dist 9.36937 8.88867 7.4928 5.32517 8.76554 11.7069 numMergedOcc 0
12 mol 128 unq 3 iso 0 dist 9.36937 5.32517 8.76554 7.04282 5.92897 8.45681 numMergedOcc 0
13 mol 128 unq 3 iso 1 dist 9.36937 7.04282 5.92897 5.32517 8.76554 8.45681 numMergedOcc 0
14 mol 128 unq 1 iso 0 dist 9.36937 7.6275 6.56049 7.4738 13.1723 11.283 numMergedOcc 0
15 mol 128 unq 1 iso 1 dist 9.36937 7.4738 13.1723 7.6275 6.56049 11.283 numMergedOcc 0
16 mol 128 unq 2 iso 0 dist 9.36937 7.6275 6.56049 8.88867 7.4928 11.0489 numMergedOcc 0
17 mol 128 unq 2 iso 1 dist 9.36937 8.88867 7.4928 7.6275 6.56049 11.0489 numMergedOcc 0
18 mol 128 unq 3 iso 0 dist 9.36937 7.6275 6.56049 7.04282 5.92897 7.50392 numMergedOcc 0
19 mol 128 unq 3 iso 1 dist 9.36937 7.04282 5.92897 7.6275 6.56049 7.50392 numMergedOcc 0
20 mol 128 unq 2 iso 0 dist 9.36937 7.4738 13.1723 8.88867 7.4928 9.43368 numMergedOcc 0
21 mol 128 unq 2 iso 1 dist 9.36937 8.88867 7.4928 7.4738 13.1723 9.43368 numMergedOcc 0
22 mol 128 unq 3 iso 0 dist 9.36937 7.4738 13.1723 7.04282 5.92897 7.72018 numMergedOcc 0
23 mol 128 unq 3 iso 1 dist 9.36937 7.04282 5.92897 7.4738 13.1723 7.72018 numMergedOcc 0
24 mol 128 unq 3 iso 0 dist 9.36937 8.88867 7.4928 7.04282 5.92897 3.93975 numMergedOcc 0
25 mol 128 unq 3 iso 1 dist 9.36937 7.04282 5.92897 8.88867 7.4928 3.93975 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 8.49149 8.47476 14.125 6.74947 8.50106 15.1471 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 8.49149 6.74947 8.50106 8.47476 14.125 15.1471 numMergedOcc 0
28 mol 167 unq 0 iso 0 dist 5.7126 9.08229 13.3242 7.99057 10.1682 10.2212 numMergedOcc 0
29 mol 167 unq 0 iso 1 dist 5.7126 7.99057 10.1682 9.08229 13.3242 10.2212 numMergedOcc 0
30 mol 176 unq 0 iso 0 dist 5.10299 7.75061 7.04396 9.11609 6.75076 13.7814 numMergedOcc 0
31 mol 176 unq 0 iso 1 dist 5.10299 9.11609 6.75076 7.75061 7.04396 13.7814 numMergedOcc 0
32 mol 176 unq 1 iso 0 dist 5.10299 7.75061 7.04396 8.85187 7.80317 14.4384 numMergedOcc 0
33 mol 176 unq 1 iso 1 dist 5.10299 8.85187 7.80317 7.75061 7.04396 14.4384 numMergedOcc 0
34 mol 176 unq 2 iso 0 dist 5.10299 7.75061 7.04396 9.44083 10.6032 4.22281 numMergedOcc 0
35 mol 176 unq 2 iso 1 dist 5.10299 9.44083 10.6032 7.75061 7.04396 4.22281 numMergedOcc 0
36 mol 176 unq 1 iso 0 dist 5.10299 9.11609 6.75076 8.85187 7.80317 3.71917 numMergedOcc 0
37 mol 176 unq 1 iso 1 dist 5.10299 8.85187 7.80317 9.11609 6.75076 3.71917 numMergedOcc 0
38 mol 176 unq 2 iso 0 dist 5.10299 9.11609 6.75076 9.44083 10.6032 17.1614 numMergedOcc 0
39 mol 176 unq 2 iso 1 dist 5.10299 9.44083 10.6032 9.11609 6.75076 17.1614 numMergedOcc 0
40 mol 176 unq 2 iso 0 dist 5.10299 8.85187 7.80317 9.44083 10.6032 17.2989 numMergedOcc 0
41 mol 176 unq 2 iso 1 dist 5.10299 9.44083 10.6032 8.85187 7.80317 17.2989 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 9.71975 6.32064 7.4746 5.29176 5.87489 3.78668 numMergedOcc 0
43 mol 204 unq 0 iso 1 dist 9.71975 5.29176 5.87489 6.32064 7.4746 3.78668 numMergedOcc 0
44 mol 233 unq 0 iso 0 dist 5.68392 8.36772 4.69692 8.83541 5.49245 9.80429 numMergedOcc 0
45 mol 233 unq 0 iso 1 dist 5.68392 8.83541 5.49245 8.36772 4.69692 9.80429 numMergedOcc 0
46 mol 233 unq 1 iso 0 dist 5.68392 8.36772 4.69692 7.55878 7.41379 8.84841 numMergedOcc 0
47 mol 233 unq 1 iso 1 dist 5.68392 7.55878 7.41379 8.36772 4.69692 8.84841 numMergedOcc 0
48 mol 233 unq 1 iso 0 dist 5.68392 8.83541 5.49245 7.55878 7.41379 9.74377 numMergedOcc 0
49 mol 233 unq 1 iso 1 dist 5.68392 7.55878 7.41379 8.83541 5.49245 9.74377 numMergedOcc 0
50 mol 278 unq 0 iso 0 dist 9.03526 8.79625 17.6708 9.9609 4.91961 17.5663 numMergedOcc 0
51 mol 278 unq 0 iso 1 dist 9.03526 9.9609 4.91961 8.79625 17.6708 17.5663 numMergedOcc 0
52 mol 278 unq 1 iso 0 dist 8.03252 8.79625 13.4866 9.9609 12.3196 17.5663 numMergedOcc 0
53 mol 278 unq 1 iso 1 dist 8.03252 9.9609 12.3196 8.79625 13.4866 17.5663 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 8.01956 9.05047 10.846 7.24072 9.02523 3.71231 numMergedOcc 0
55 mol 292 unq 0 iso 1 dist 8.01956 7.24072 9.02523 9.05047 10.846 3.71231 numMergedOcc 0
