0 mol 20 unq 0 iso 0 dist 4.36087 7.09639 3.39356 5.28474 7.99756 9.86276 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 4.78333 4.74254 5.63083 6.48468 9.04293 10.8282 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 4.29937 5.37869 2.58673 3.78063 3.65628 4.05415 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 4.29937 5.37869 2.58673 13.0538 9.77774 9.97944 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 5.37869 4.29937 2.58673 3.78063 4.05415 3.65628 numMergedOcc 0
5 mol 85 unq 3 iso 0 dist 5.37869 4.29937 2.58673 13.0538 9.97944 9.77774 numMergedOcc 0
6 mol 85 unq 4 iso 0 dist 3.65628 4.05415 2.58673 3.78063 4.29937 5.37869 numMergedOcc 0
7 mol 85 unq 5 iso 0 dist 3.65628 4.05415 2.58673 9.79029 9.77774 9.97944 numMergedOcc 0
8 mol 85 unq 6 iso 0 dist 4.05415 3.65628 2.58673 3.78063 5.37869 4.29937 numMergedOcc 0
9 mol 85 unq 7 iso 0 dist 4.05415 3.65628 2.58673 9.79029 9.97944 9.77774 numMergedOcc 0
10 mol 85 unq 8 iso 0 dist 9.77774 9.97944 2.58673 13.0538 4.29937 5.37869 numMergedOcc 0
11 mol 85 unq 9 iso 0 dist 9.77774 9.97944 2.58673 9.79029 3.65628 4.05415 numMergedOcc 0
12 mol 85 unq 10 iso 0 dist 9.97944 9.77774 2.58673 13.0538 5.37869 4.29937 numMergedOcc 0
13 mol 85 unq 11 iso 0 dist 9.97944 9.77774 2.58673 9.79029 4.05415 3.65628 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 8.28591 6.67678 10.7776 5.21654 5.35008 10.4903 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 8.28591 6.67678 10.7776 13.3531 8.30921 17.0013 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 8.28591 7.24956 11.7564 5.21654 5.35008 11.5899 numMergedOcc 0
17 mol 93 unq 3 iso 0 dist 8.28591 7.24956 11.7564 13.3531 8.30921 16.7505 numMergedOcc 0
18 mol 93 unq 4 iso 0 dist 8.28591 9.40687 5.02964 5.21654 5.35008 8.84576 numMergedOcc 0
19 mol 93 unq 5 iso 0 dist 8.28591 9.40687 5.02964 13.3531 8.30921 7.39732 numMergedOcc 0
20 mol 93 unq 6 iso 0 dist 5.35008 8.84576 5.02964 5.21654 8.28591 9.40687 numMergedOcc 0
21 mol 93 unq 7 iso 0 dist 5.35008 8.84576 5.02964 10.7398 8.30921 7.39732 numMergedOcc 0
22 mol 93 unq 8 iso 0 dist 8.30921 7.39732 5.02964 13.3531 8.28591 9.40687 numMergedOcc 0
23 mol 93 unq 9 iso 0 dist 8.30921 7.39732 5.02964 10.7398 5.35008 8.84576 numMergedOcc 0
24 mol 93 unq 10 iso 0 dist 8.30921 9.67744 8.84051 13.3531 8.28591 14.4367 numMergedOcc 0
25 mol 93 unq 11 iso 0 dist 8.30921 9.67744 8.84051 10.7398 5.35008 13.704 numMergedOcc 0
26 mol 93 unq 12 iso 0 dist 9.40687 6.67678 10.4844 5.21654 8.84576 10.4903 numMergedOcc 0
27 mol 93 unq 13 iso 0 dist 9.40687 6.67678 10.4844 13.3531 7.39732 17.0013 numMergedOcc 0
28 mol 93 unq 14 iso 0 dist 9.40687 7.24956 10.3262 5.21654 8.84576 11.5899 numMergedOcc 0
29 mol 93 unq 15 iso 0 dist 9.40687 7.24956 10.3262 13.3531 7.39732 16.7505 numMergedOcc 0
30 mol 93 unq 16 iso 0 dist 9.40687 8.28591 5.02964 5.21654 8.84576 5.35008 numMergedOcc 0
31 mol 93 unq 17 iso 0 dist 9.40687 8.28591 5.02964 13.3531 7.39732 8.30921 numMergedOcc 0
32 mol 93 unq 18 iso 0 dist 8.84576 5.35008 5.02964 5.21654 9.40687 8.28591 numMergedOcc 0
33 mol 93 unq 19 iso 0 dist 8.84576 5.35008 5.02964 10.7398 7.39732 8.30921 numMergedOcc 0
34 mol 93 unq 20 iso 0 dist 7.39732 8.30921 5.02964 13.3531 9.40687 8.28591 numMergedOcc 0
35 mol 93 unq 21 iso 0 dist 7.39732 8.30921 5.02964 10.7398 8.84576 5.35008 numMergedOcc 0
36 mol 93 unq 22 iso 0 dist 7.39732 9.67744 5.30633 13.3531 9.40687 14.4367 numMergedOcc 0
37 mol 93 unq 23 iso 0 dist 7.39732 9.67744 5.30633 10.7398 8.84576 13.704 numMergedOcc 0
38 mol 147 unq 0 iso 0 dist 5.12272 8.7121 4.68125 5.10774 7.7464 10.735 numMergedOcc 0
39 mol 168 unq 0 iso 0 dist 7.0961 8.26768 5.29906 13.6611 8.21227 11.0485 numMergedOcc 0
40 mol 168 unq 1 iso 0 dist 7.0961 8.26768 5.29906 12.3632 6.53038 9.04677 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 9.17458 7.36794 3.09727 6.09215 6.94594 5.81881 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 6.94594 5.81881 3.09727 6.09215 9.17458 7.36794 numMergedOcc 0
43 mol 186 unq 2 iso 0 dist 7.36794 9.17458 3.09727 6.09215 5.81881 6.94594 numMergedOcc 0
44 mol 186 unq 3 iso 0 dist 5.81881 6.94594 3.09727 6.09215 7.36794 9.17458 numMergedOcc 0
45 mol 194 unq 0 iso 0 dist 4.45769 5.89939 3.78714 6.41254 8.99961 8.18853 numMergedOcc 0
46 mol 194 unq 1 iso 0 dist 5.89939 4.45769 3.78714 6.41254 8.18853 8.99961 numMergedOcc 0
47 mol 194 unq 2 iso 0 dist 8.99961 8.18853 3.78714 6.41254 4.45769 5.89939 numMergedOcc 0
48 mol 194 unq 3 iso 0 dist 8.18853 8.99961 3.78714 6.41254 5.89939 4.45769 numMergedOcc 0
49 mol 214 unq 0 iso 0 dist 7.70062 7.66702 2.86233 5.97842 9.59928 11.1063 numMergedOcc 0
50 mol 222 unq 0 iso 0 dist 6.39673 9.79673 7.78447 8.10209 7.80676 12.7094 numMergedOcc 0
