0 mol 11 unq 0 iso 0 dist 7.95811 4.46394 7.46578 11.7593 8.00765 7.98326 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.95811 10.366 7.16561 11.7593 8.00765 7.90478 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 9.52695 9.36527 7.98326 14.8064 8.05578 7.90478 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 9.52695 10.1362 7.46578 14.8064 8.05578 7.16561 numMergedOcc 0
4 mol 11 unq 4 iso 0 dist 9.78754 9.66474 7.98326 14.7862 8.00765 7.46578 numMergedOcc 0
5 mol 11 unq 5 iso 0 dist 9.78754 10.3999 7.90478 14.7862 8.00765 7.16561 numMergedOcc 0
6 mol 11 unq 6 iso 0 dist 8.40993 11.501 7.46578 13.0752 8.00765 7.98326 numMergedOcc 0
7 mol 11 unq 7 iso 0 dist 8.40993 5.91043 7.16561 13.0752 8.00765 7.90478 numMergedOcc 0
8 mol 11 unq 8 iso 0 dist 8.23032 4.24301 7.90478 11.4417 8.05578 7.98326 numMergedOcc 0
9 mol 11 unq 9 iso 0 dist 8.23032 10.4568 7.16561 11.4417 8.05578 7.46578 numMergedOcc 0
10 mol 11 unq 10 iso 0 dist 8.22997 11.7321 7.90478 12.6779 8.05578 7.98326 numMergedOcc 0
11 mol 11 unq 11 iso 0 dist 8.22997 5.97265 7.16561 12.6779 8.05578 7.46578 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 8.17655 4.32712 8.03296 6.47416 6.70789 5.82754 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 8.17655 4.32712 8.03296 11.8429 7.7277 8.87742 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 8.17655 11.1935 9.26979 6.47416 6.70789 9.05679 numMergedOcc 0
15 mol 79 unq 3 iso 0 dist 8.17655 11.1935 9.26979 11.8429 7.7277 4.93468 numMergedOcc 0
16 mol 79 unq 4 iso 0 dist 6.47416 4.32712 5.82754 8.17655 6.70789 8.03296 numMergedOcc 0
17 mol 79 unq 5 iso 0 dist 6.47416 4.32712 5.82754 11.8429 7.2005 8.87742 numMergedOcc 0
18 mol 79 unq 6 iso 0 dist 6.47416 11.1935 9.05679 8.17655 6.70789 9.26979 numMergedOcc 0
19 mol 79 unq 7 iso 0 dist 6.47416 11.1935 9.05679 11.8429 7.2005 4.93468 numMergedOcc 0
20 mol 79 unq 8 iso 0 dist 9.78129 6.04442 8.03296 10.7493 6.70789 5.82754 numMergedOcc 0
21 mol 79 unq 9 iso 0 dist 9.78129 6.04442 8.03296 13.6021 7.7277 8.87742 numMergedOcc 0
22 mol 79 unq 10 iso 0 dist 9.78129 11.2226 9.26979 10.7493 6.70789 9.05679 numMergedOcc 0
23 mol 79 unq 11 iso 0 dist 9.78129 11.2226 9.26979 13.6021 7.7277 4.93468 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 5.62309 4.1125 6.77241 7.11438 6.2185 5.50508 numMergedOcc 0
25 mol 92 unq 1 iso 0 dist 7.11127 9.3668 5.50508 12.6008 6.2185 6.77241 numMergedOcc 0
26 mol 92 unq 2 iso 0 dist 6.37888 4.00884 5.50508 9.95946 6.2185 6.77241 numMergedOcc 0
27 mol 92 unq 3 iso 0 dist 7.11438 4.1125 5.50508 5.62309 6.2185 6.77241 numMergedOcc 0
28 mol 93 unq 0 iso 0 dist 7.4518 14.4094 8.89417 9.82649 4.37353 8.74378 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 5.56565 5.21047 6.84835 9.94824 9.63809 8.42748 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 6.21194 4.47323 5.25109 9.9872 7.9115 7.22518 numMergedOcc 0
31 mol 171 unq 1 iso 0 dist 6.21194 4.73373 8.21618 9.9872 7.9115 7.58499 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 6.95568 10.453 8.86197 10.5689 9.87773 7.32087 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 9.41148 6.36084 9.78181 7.83422 16.4381 9.8664 numMergedOcc 0
34 mol 232 unq 1 iso 0 dist 7.83422 6.36084 9.8664 9.41148 16.4381 9.78181 numMergedOcc 0
35 mol 244 unq 0 iso 0 dist 5.79898 4.38246 6.22122 8.57917 10.6423 7.95359 numMergedOcc 0
36 mol 256 unq 0 iso 0 dist 5.66817 7.4144 6.33496 9.23897 6.48174 4.98734 numMergedOcc 0
37 mol 256 unq 1 iso 0 dist 5.66817 3.86625 6.00636 9.23897 6.48174 6.37963 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 9.11072 5.15747 6.88827 6.83113 11.6106 9.16942 numMergedOcc 0
39 mol 274 unq 1 iso 0 dist 6.83113 5.15747 9.16942 9.11072 11.6106 6.88827 numMergedOcc 0
40 mol 274 unq 2 iso 0 dist 9.02071 4.36131 6.88827 11.74 11.6106 9.16942 numMergedOcc 0
