0 mol 6 unq 0 iso 0 dist 9.12796 6.1462 4.09396 8.15992 12.0011 11.5054 numMergedOcc 0
1 mol 6 unq 0 iso 1 dist 6.1462 9.12796 4.09396 8.15992 11.5054 12.0011 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.3147 9.79426 17.1338 9.97466 15.257 4.78277 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 9.79426 9.3147 17.1338 9.97466 4.78277 15.257 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 9.50179 6.72231 7.62467 5.92388 4.56848 4.71732 numMergedOcc 0
5 mol 21 unq 0 iso 1 dist 6.72231 9.50179 7.62467 5.92388 4.71732 4.56848 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 9.65131 8.73572 11.8617 7.72372 6.66403 8.97662 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 8.73572 9.65131 11.8617 7.72372 8.97662 6.66403 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 6.04551 6.31161 9.46719 7.49794 13.0811 5.91316 numMergedOcc 0
9 mol 48 unq 0 iso 1 dist 6.31161 6.04551 9.46719 7.49794 5.91316 13.0811 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 8.36915 6.01454 8.29103 5.43913 5.44336 9.12054 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 6.01454 8.36915 8.29103 5.43913 9.12054 5.44336 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 8.36915 6.01454 8.29103 8.26877 10.4965 13.688 numMergedOcc 0
13 mol 48 unq 2 iso 1 dist 6.01454 8.36915 8.29103 8.26877 13.688 10.4965 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 7.02693 8.69689 8.0072 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 9.27355 5.39171 5.47475 7.02693 8.0072 8.69689 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 5.39171 8.60363 5.05066 7.02693 8.69689 9.61302 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 8.60363 5.39171 5.05066 7.02693 9.61302 8.69689 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 9.27355 8.60363 4.4628 7.02693 8.0072 9.61302 numMergedOcc 0
19 mol 73 unq 1 iso 1 dist 8.60363 9.27355 4.4628 7.02693 9.61302 8.0072 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 7.12199 7.90837 8.22066 4.91714 4.69684 9.94373 numMergedOcc 0
21 mol 92 unq 0 iso 1 dist 7.90837 7.12199 8.22066 4.91714 9.94373 4.69684 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 9.56884 8.67865 14.4981 6.61645 4.76164 12.6253 numMergedOcc 0
23 mol 92 unq 1 iso 1 dist 8.67865 9.56884 14.4981 6.61645 12.6253 4.76164 numMergedOcc 0
24 mol 92 unq 2 iso 0 dist 9.56884 8.40148 7.79762 6.61645 4.76164 9.40226 numMergedOcc 0
25 mol 92 unq 2 iso 1 dist 8.40148 9.56884 7.79762 6.61645 9.40226 4.76164 numMergedOcc 0
26 mol 92 unq 2 iso 0 dist 8.67865 8.40148 10.1168 6.61645 12.6253 9.40226 numMergedOcc 0
27 mol 92 unq 2 iso 1 dist 8.40148 8.67865 10.1168 6.61645 9.40226 12.6253 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 8.6609 6.21546 6.77498 8.06007 12.9272 7.97895 numMergedOcc 0
29 mol 175 unq 0 iso 1 dist 6.21546 8.6609 6.77498 8.06007 7.97895 12.9272 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 8.6609 6.03184 12.0951 8.06007 12.9272 9.57126 numMergedOcc 0
31 mol 175 unq 1 iso 1 dist 6.03184 8.6609 12.0951 8.06007 9.57126 12.9272 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 6.21546 6.03184 7.01839 8.06007 7.97895 9.57126 numMergedOcc 0
33 mol 175 unq 1 iso 1 dist 6.03184 6.21546 7.01839 8.06007 9.57126 7.97895 numMergedOcc 0
34 mol 184 unq 0 iso 0 dist 9.45847 7.895 17.2664 8.5544 15.8504 8.94646 numMergedOcc 0
35 mol 184 unq 0 iso 1 dist 7.895 9.45847 17.2664 8.5544 8.94646 15.8504 numMergedOcc 0
36 mol 199 unq 0 iso 0 dist 9.88917 9.56785 10.3162 9.6189 9.65537 11.7057 numMergedOcc 0
37 mol 199 unq 0 iso 1 dist 9.56785 9.88917 10.3162 9.6189 11.7057 9.65537 numMergedOcc 0
38 mol 206 unq 0 iso 0 dist 4.51269 7.65323 7.34999 5.73198 4.22218 3.57449 numMergedOcc 0
39 mol 206 unq 0 iso 1 dist 7.65323 4.51269 7.34999 5.73198 3.57449 4.22218 numMergedOcc 0
40 mol 214 unq 0 iso 0 dist 9.81136 7.25293 9.46821 9.59498 9.67136 4.99827 numMergedOcc 0
41 mol 214 unq 0 iso 1 dist 7.25293 9.81136 9.46821 9.59498 4.99827 9.67136 numMergedOcc 0
42 mol 233 unq 0 iso 0 dist 6.72499 7.21238 5.21384 6.33954 5.41858 9.32494 numMergedOcc 0
43 mol 233 unq 0 iso 1 dist 7.21238 6.72499 5.21384 6.33954 9.32494 5.41858 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 6.74214 5.33462 4.85921 8.62485 6.17041 4.51854 numMergedOcc 0
45 mol 238 unq 0 iso 1 dist 5.33462 6.74214 4.85921 8.62485 4.51854 6.17041 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 6.74214 5.33462 4.85921 9.37688 3.90516 5.3726 numMergedOcc 0
47 mol 238 unq 1 iso 1 dist 5.33462 6.74214 4.85921 9.37688 5.3726 3.90516 numMergedOcc 0
48 mol 239 unq 0 iso 0 dist 9.09835 7.21466 5.24285 8.99104 12.64 10.3384 numMergedOcc 0
49 mol 239 unq 0 iso 1 dist 7.21466 9.09835 5.24285 8.99104 10.3384 12.64 numMergedOcc 0
50 mol 249 unq 0 iso 0 dist 7.58833 9.04715 7.46941 6.62413 7.19269 4.77145 numMergedOcc 0
51 mol 249 unq 0 iso 1 dist 9.04715 7.58833 7.46941 6.62413 4.77145 7.19269 numMergedOcc 0
52 mol 254 unq 0 iso 0 dist 9.36171 7.87218 8.83027 7.02613 7.04725 3.99032 numMergedOcc 0
53 mol 254 unq 0 iso 1 dist 7.87218 9.36171 8.83027 7.02613 3.99032 7.04725 numMergedOcc 0
54 mol 254 unq 1 iso 0 dist 9.36171 7.87218 8.83027 8.95185 13.2196 11.5993 numMergedOcc 0
55 mol 254 unq 1 iso 1 dist 7.87218 9.36171 8.83027 8.95185 11.5993 13.2196 numMergedOcc 0
56 mol 254 unq 2 iso 0 dist 7.53352 7.80793 5.93819 8.30975 9.97794 4.69026 numMergedOcc 0
57 mol 254 unq 2 iso 1 dist 7.80793 7.53352 5.93819 8.30975 4.69026 9.97794 numMergedOcc 0
58 mol 254 unq 3 iso 0 dist 7.53352 7.80793 5.93819 8.10036 9.08435 4.10825 numMergedOcc 0
59 mol 254 unq 3 iso 1 dist 7.80793 7.53352 5.93819 8.10036 4.10825 9.08435 numMergedOcc 0
60 mol 254 unq 4 iso 0 dist 7.53352 7.80793 5.93819 8.96529 13.2196 13.4679 numMergedOcc 0
61 mol 254 unq 4 iso 1 dist 7.80793 7.53352 5.93819 8.96529 13.4679 13.2196 numMergedOcc 0
62 mol 265 unq 0 iso 0 dist 9.56472 6.5072 10.1588 6.18698 12.1988 8.25438 numMergedOcc 0
63 mol 265 unq 0 iso 1 dist 6.5072 9.56472 10.1588 6.18698 8.25438 12.1988 numMergedOcc 0
64 mol 265 unq 1 iso 0 dist 9.56472 4.03921 13.1954 6.18698 12.1988 4.75288 numMergedOcc 0
65 mol 265 unq 1 iso 1 dist 4.03921 9.56472 13.1954 6.18698 4.75288 12.1988 numMergedOcc 0
66 mol 265 unq 1 iso 0 dist 6.5072 4.03921 7.82127 6.18698 8.25438 4.75288 numMergedOcc 0
67 mol 265 unq 1 iso 1 dist 4.03921 6.5072 7.82127 6.18698 4.75288 8.25438 numMergedOcc 0
68 mol 279 unq 0 iso 0 dist 5.78017 8.78203 10.71 9.98182 6.3791 9.86569 numMergedOcc 0
69 mol 279 unq 0 iso 1 dist 8.78203 5.78017 10.71 9.98182 9.86569 6.3791 numMergedOcc 0
70 mol 285 unq 0 iso 0 dist 8.63954 4.74716 6.55738 6.07843 10.0892 3.97296 numMergedOcc 0
71 mol 285 unq 0 iso 1 dist 4.74716 8.63954 6.55738 6.07843 3.97296 10.0892 numMergedOcc 0
72 mol 285 unq 1 iso 0 dist 8.63954 4.74716 6.55738 9.66678 16.8309 10.6606 numMergedOcc 0
73 mol 285 unq 1 iso 1 dist 4.74716 8.63954 6.55738 9.66678 10.6606 16.8309 numMergedOcc 0
