0 mol 51 unq 0 iso 0 dist 8.55004 6.50216 13.7524 9.83073 10.3853 11.1772 numMergedOcc 0
1 mol 51 unq 0 iso 1 dist 8.55004 9.83073 10.3853 6.50216 13.7524 11.1772 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 9.22651 8.07962 6.43211 9.54857 6.93587 7.56811 numMergedOcc 0
3 mol 102 unq 0 iso 1 dist 9.22651 9.54857 6.93587 8.07962 6.43211 7.56811 numMergedOcc 0
4 mol 102 unq 1 iso 0 dist 5.32892 7.58908 6.43211 9.32058 6.93587 7.56811 numMergedOcc 0
5 mol 102 unq 1 iso 1 dist 5.32892 9.32058 6.93587 7.58908 6.43211 7.56811 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 6.36357 9.81273 15.288 6.67575 8.47667 10.0023 numMergedOcc 0
7 mol 103 unq 0 iso 1 dist 6.36357 6.67575 8.47667 9.81273 15.288 10.0023 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.34752 9.2167 12.8972 6.67306 5.7998 7.15643 numMergedOcc 0
9 mol 119 unq 0 iso 1 dist 9.34752 6.67306 5.7998 9.2167 12.8972 7.15643 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 8.56386 9.28454 10.9839 7.97266 9.13867 6.2968 numMergedOcc 0
11 mol 123 unq 0 iso 1 dist 8.56386 7.97266 9.13867 9.28454 10.9839 6.2968 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 7.15869 9.28454 7.44999 7.97266 7.70166 6.2968 numMergedOcc 0
13 mol 123 unq 1 iso 1 dist 7.15869 7.97266 7.70166 9.28454 7.44999 6.2968 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 9.21476 6.00651 4.93993 8.52428 7.55402 9.36152 numMergedOcc 0
15 mol 147 unq 0 iso 1 dist 9.21476 8.52428 7.55402 6.00651 4.93993 9.36152 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 9.15795 5.83335 11.7914 9.92635 6.08414 14.4206 numMergedOcc 0
17 mol 183 unq 0 iso 1 dist 9.15795 9.92635 6.08414 5.83335 11.7914 14.4206 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 8.72128 9.86506 15.1826 7.86724 11.7914 8.9952 numMergedOcc 0
19 mol 183 unq 1 iso 1 dist 8.72128 7.86724 11.7914 9.86506 15.1826 8.9952 numMergedOcc 0
20 mol 183 unq 2 iso 0 dist 8.72128 9.86506 15.1826 7.85507 6.08414 15.9375 numMergedOcc 0
21 mol 183 unq 2 iso 1 dist 8.72128 7.85507 6.08414 9.86506 15.1826 15.9375 numMergedOcc 0
22 mol 183 unq 2 iso 0 dist 8.72128 7.86724 11.7914 7.85507 6.08414 14.4206 numMergedOcc 0
23 mol 183 unq 2 iso 1 dist 8.72128 7.85507 6.08414 7.86724 11.7914 14.4206 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 9.4789 8.48582 6.11696 9.94804 13.7958 8.07108 numMergedOcc 0
25 mol 188 unq 0 iso 1 dist 9.4789 9.94804 13.7958 8.48582 6.11696 8.07108 numMergedOcc 0
26 mol 199 unq 0 iso 0 dist 9.86694 8.22146 6.83716 7.16849 5.88171 8.95041 numMergedOcc 0
27 mol 199 unq 0 iso 1 dist 9.86694 7.16849 5.88171 8.22146 6.83716 8.95041 numMergedOcc 0
28 mol 250 unq 0 iso 0 dist 5.43868 7.55313 7.05949 8.62074 4.69451 6.91019 numMergedOcc 0
29 mol 250 unq 0 iso 1 dist 5.43868 8.62074 4.69451 7.55313 7.05949 6.91019 numMergedOcc 0
30 mol 250 unq 1 iso 0 dist 7.02096 7.55313 6.34979 8.62074 10.5803 6.91019 numMergedOcc 0
31 mol 250 unq 1 iso 1 dist 7.02096 8.62074 10.5803 7.55313 6.34979 6.91019 numMergedOcc 0
32 mol 250 unq 2 iso 0 dist 9.80833 7.55313 13.2963 8.62074 10.0219 6.91019 numMergedOcc 0
33 mol 250 unq 2 iso 1 dist 9.80833 8.62074 10.0219 7.55313 13.2963 6.91019 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 7.51446 3.90274 5.69904 7.49024 11.0588 9.45269 numMergedOcc 0
35 mol 266 unq 0 iso 1 dist 7.51446 7.49024 11.0588 3.90274 5.69904 9.45269 numMergedOcc 0
