0 mol 0 unq 0 iso 0 dist 7.37981 9.98828 7.19621 10.169 9.23213 11.8799 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.19621 9.98828 7.37981 11.8799 9.23213 10.169 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 7.37981 9.98828 7.19621 11.9257 8.81979 5.13546 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.19621 9.98828 7.37981 5.13546 8.81979 11.9257 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.59893 5.42328 5.59773 10.8658 5.02241 10.352 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 5.59773 5.42328 6.59893 10.352 5.02241 10.8658 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.62468 8.0979 5.92705 6.91052 8.76003 7.34319 numMergedOcc 0
7 mol 61 unq 0 iso 1 dist 5.92705 8.0979 9.62468 7.34319 8.76003 6.91052 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 7.88564 10.2399 6.78459 5.07584 4.76815 7.59628 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 6.78459 10.2399 7.88564 7.59628 4.76815 5.07584 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.97145 8.09035 6.5874 10.4276 6.91348 4.96935 numMergedOcc 0
11 mol 131 unq 0 iso 1 dist 6.5874 8.09035 8.97145 4.96935 6.91348 10.4276 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.97145 8.09035 6.5874 14.8011 9.51418 7.83921 numMergedOcc 0
13 mol 131 unq 1 iso 1 dist 6.5874 8.09035 8.97145 7.83921 9.51418 14.8011 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 8.69888 7.01839 5.08206 14.6255 9.8589 11.5085 numMergedOcc 0
15 mol 175 unq 0 iso 1 dist 5.08206 7.01839 8.69888 11.5085 9.8589 14.6255 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 7.32478 4.87816 9.48439 7.54928 5.48258 8.68698 numMergedOcc 0
17 mol 194 unq 0 iso 1 dist 9.48439 4.87816 7.32478 8.68698 5.48258 7.54928 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 7.32478 4.87816 9.48439 5.45144 6.15769 10.0346 numMergedOcc 0
19 mol 194 unq 1 iso 1 dist 9.48439 4.87816 7.32478 10.0346 6.15769 5.45144 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 6.56437 6.35724 6.23882 11.7838 7.06793 9.57742 numMergedOcc 0
21 mol 224 unq 0 iso 1 dist 6.23882 6.35724 6.56437 9.57742 7.06793 11.7838 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 6.56437 6.35724 6.23882 10.4999 6.67585 12.0368 numMergedOcc 0
23 mol 224 unq 1 iso 1 dist 6.23882 6.35724 6.56437 12.0368 6.67585 10.4999 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 6.56437 10.9885 9.53131 11.7838 7.06793 8.30442 numMergedOcc 0
25 mol 224 unq 2 iso 1 dist 9.53131 10.9885 6.56437 8.30442 7.06793 11.7838 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 6.56437 10.9885 9.53131 10.4999 6.67585 4.63666 numMergedOcc 0
27 mol 224 unq 3 iso 1 dist 9.53131 10.9885 6.56437 4.63666 6.67585 10.4999 numMergedOcc 0
28 mol 224 unq 4 iso 0 dist 6.56437 14.4585 9.34636 11.7838 7.06793 5.46434 numMergedOcc 0
29 mol 224 unq 4 iso 1 dist 9.34636 14.4585 6.56437 5.46434 7.06793 11.7838 numMergedOcc 0
30 mol 224 unq 5 iso 0 dist 6.56437 14.4585 9.34636 10.4999 6.67585 5.03449 numMergedOcc 0
31 mol 224 unq 5 iso 1 dist 9.34636 14.4585 6.56437 5.03449 6.67585 10.4999 numMergedOcc 0
32 mol 224 unq 2 iso 0 dist 6.23882 13.2305 9.53131 9.57742 7.06793 8.30442 numMergedOcc 0
33 mol 224 unq 2 iso 1 dist 9.53131 13.2305 6.23882 8.30442 7.06793 9.57742 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 6.23882 13.2305 9.53131 12.0368 6.67585 4.63666 numMergedOcc 0
35 mol 224 unq 3 iso 1 dist 9.53131 13.2305 6.23882 4.63666 6.67585 12.0368 numMergedOcc 0
36 mol 224 unq 4 iso 0 dist 6.23882 14.027 9.34636 9.57742 7.06793 5.46434 numMergedOcc 0
37 mol 224 unq 4 iso 1 dist 9.34636 14.027 6.23882 5.46434 7.06793 9.57742 numMergedOcc 0
38 mol 224 unq 5 iso 0 dist 6.23882 14.027 9.34636 12.0368 6.67585 5.03449 numMergedOcc 0
39 mol 224 unq 5 iso 1 dist 9.34636 14.027 6.23882 5.03449 6.67585 12.0368 numMergedOcc 0
40 mol 224 unq 4 iso 0 dist 9.53131 7.4034 9.34636 8.30442 7.06793 5.46434 numMergedOcc 0
41 mol 224 unq 4 iso 1 dist 9.34636 7.4034 9.53131 5.46434 7.06793 8.30442 numMergedOcc 0
42 mol 224 unq 5 iso 0 dist 9.53131 7.4034 9.34636 4.63666 6.67585 5.03449 numMergedOcc 0
43 mol 224 unq 5 iso 1 dist 9.34636 7.4034 9.53131 5.03449 6.67585 4.63666 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 9.31417 4.85921 5.56719 18.4149 9.29858 14.7671 numMergedOcc 0
45 mol 238 unq 0 iso 1 dist 5.56719 4.85921 9.31417 14.7671 9.29858 18.4149 numMergedOcc 0
46 mol 249 unq 0 iso 0 dist 7.29898 5.2966 8.91685 4.16447 8.83735 6.74838 numMergedOcc 0
47 mol 249 unq 0 iso 1 dist 8.91685 5.2966 7.29898 6.74838 8.83735 4.16447 numMergedOcc 0
48 mol 253 unq 0 iso 0 dist 7.7993 8.46336 6.10761 14.5897 7.19465 8.77813 numMergedOcc 0
49 mol 253 unq 0 iso 1 dist 6.10761 8.46336 7.7993 8.77813 7.19465 14.5897 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 6.00877 5.09461 8.66451 4.05661 6.50589 7.47324 numMergedOcc 0
51 mol 274 unq 0 iso 1 dist 8.66451 5.09461 6.00877 7.47324 6.50589 4.05661 numMergedOcc 0
52 mol 282 unq 0 iso 0 dist 5.67266 6.38894 5.80981 5.41716 8.8673 5.37323 numMergedOcc 0
53 mol 282 unq 0 iso 1 dist 5.80981 6.38894 5.67266 5.37323 8.8673 5.41716 numMergedOcc 0
54 mol 282 unq 1 iso 0 dist 5.67266 12.9312 9.63346 5.41716 8.8673 14.5422 numMergedOcc 0
55 mol 282 unq 1 iso 1 dist 9.63346 12.9312 5.67266 14.5422 8.8673 5.41716 numMergedOcc 0
56 mol 282 unq 1 iso 0 dist 5.80981 12.8857 9.63346 5.37323 8.8673 14.5422 numMergedOcc 0
57 mol 282 unq 1 iso 1 dist 9.63346 12.8857 5.80981 14.5422 8.8673 5.37323 numMergedOcc 0
