0 mol 46 unq 0 iso 0 dist 6.19084 9.942 6.67753 5.92771 8.49258 14.4922 numMergedOcc 0
1 mol 46 unq 0 iso 1 dist 6.19084 5.92771 8.49258 9.942 6.67753 14.4922 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.57012 6.51132 4.17255 8.38986 6.52866 3.13731 numMergedOcc 0
3 mol 92 unq 0 iso 1 dist 8.57012 8.38986 6.52866 6.51132 4.17255 3.13731 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.75945 6.51132 9.96839 8.38986 9.12887 3.13731 numMergedOcc 0
5 mol 92 unq 1 iso 1 dist 9.75945 8.38986 9.12887 6.51132 9.96839 3.13731 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 5.98187 8.09329 7.6938 5.80266 3.99394 9.29446 numMergedOcc 0
7 mol 123 unq 0 iso 1 dist 5.98187 5.80266 3.99394 8.09329 7.6938 9.29446 numMergedOcc 0
8 mol 123 unq 1 iso 0 dist 7.42186 5.18305 10.0612 6.13025 7.6938 7.48549 numMergedOcc 0
9 mol 123 unq 1 iso 1 dist 7.42186 6.13025 7.6938 5.18305 10.0612 7.48549 numMergedOcc 0
10 mol 123 unq 2 iso 0 dist 7.42186 5.18305 10.0612 6.78431 3.99394 8.29136 numMergedOcc 0
11 mol 123 unq 2 iso 1 dist 7.42186 6.78431 3.99394 5.18305 10.0612 8.29136 numMergedOcc 0
12 mol 123 unq 2 iso 0 dist 7.42186 6.13025 7.6938 6.78431 3.99394 9.29446 numMergedOcc 0
13 mol 123 unq 2 iso 1 dist 7.42186 6.78431 3.99394 6.13025 7.6938 9.29446 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.58371 4.80508 11.8112 4.88625 10.454 3.19759 numMergedOcc 0
15 mol 158 unq 0 iso 1 dist 9.58371 4.88625 10.454 4.80508 11.8112 3.19759 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 9.63679 6.24232 7.27069 6.13116 4.51252 5.29906 numMergedOcc 0
17 mol 168 unq 0 iso 1 dist 9.63679 6.13116 4.51252 6.24232 7.27069 5.29906 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 5.11863 9.15923 6.04545 7.79098 4.12242 8.04915 numMergedOcc 0
19 mol 184 unq 0 iso 1 dist 5.11863 7.79098 4.12242 9.15923 6.04545 8.04915 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 5.92785 6.03505 6.04545 6.30144 4.12242 8.04915 numMergedOcc 0
21 mol 184 unq 1 iso 1 dist 5.92785 6.30144 4.12242 6.03505 6.04545 8.04915 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 9.00866 8.4346 4.4384 7.97728 6.09569 2.67738 numMergedOcc 0
23 mol 254 unq 0 iso 1 dist 9.00866 7.97728 6.09569 8.4346 4.4384 2.67738 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 5.62568 6.23874 5.9468 6.68956 3.63993 4.68872 numMergedOcc 0
25 mol 287 unq 0 iso 1 dist 5.62568 6.68956 3.63993 6.23874 5.9468 4.68872 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 5.62568 6.23874 5.9468 6.68956 3.63993 4.68872 numMergedOcc 0
27 mol 288 unq 0 iso 1 dist 5.62568 6.68956 3.63993 6.23874 5.9468 4.68872 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 5.62568 6.23874 5.9468 6.68956 3.63993 4.68872 numMergedOcc 0
29 mol 289 unq 0 iso 1 dist 5.62568 6.68956 3.63993 6.23874 5.9468 4.68872 numMergedOcc 0
