0 mol 0 unq 0 iso 0 dist 8.24206 6.19218 9.98828 5.25456 7.37981 7.19621 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.19218 8.24206 9.98828 5.25456 7.19621 7.37981 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19397 7.96742 12.7706 7.1599 7.19621 15.0192 numMergedOcc 0
3 mol 2 unq 0 iso 0 dist 9.08872 9.74371 6.23988 9.97525 9.58976 6.35342 numMergedOcc 0
4 mol 2 unq 1 iso 0 dist 9.08872 9.74371 6.23988 3.9935 9.57645 12.3504 numMergedOcc 0
5 mol 2 unq 2 iso 0 dist 9.74371 9.08872 6.23988 9.97525 6.35342 9.58976 numMergedOcc 0
6 mol 2 unq 3 iso 0 dist 7.37296 6.15195 6.80804 11.2776 9.58976 15.0494 numMergedOcc 0
7 mol 2 unq 4 iso 0 dist 7.37296 6.15195 6.80804 11.0228 9.57645 12.1029 numMergedOcc 0
8 mol 4 unq 0 iso 0 dist 9.84876 8.7041 11.2643 6.8787 9.71908 13.0418 numMergedOcc 0
9 mol 7 unq 0 iso 0 dist 9.32945 8.0166 5.63739 17.302 9.85726 13.148 numMergedOcc 0
10 mol 7 unq 1 iso 0 dist 9.32945 9.90117 5.38328 17.302 9.85726 10.8678 numMergedOcc 0
11 mol 7 unq 2 iso 0 dist 9.90117 8.0166 10.2796 6.96396 7.21217 12.2471 numMergedOcc 0
12 mol 7 unq 3 iso 0 dist 9.90117 9.32945 5.38328 6.96396 7.21217 10.2729 numMergedOcc 0
13 mol 14 unq 0 iso 0 dist 7.04966 8.51178 9.64649 9.55728 8.73627 16.2349 numMergedOcc 0
14 mol 14 unq 1 iso 0 dist 7.04966 8.51178 9.64649 5.68897 8.69369 13.9342 numMergedOcc 0
15 mol 38 unq 0 iso 0 dist 5.86972 7.55357 9.56267 7.46414 9.23576 12.6659 numMergedOcc 0
16 mol 54 unq 0 iso 0 dist 5.44539 8.13653 4.57786 6.33921 5.38191 9.87592 numMergedOcc 0
17 mol 61 unq 0 iso 0 dist 8.30431 4.628 8.0979 6.32949 9.62468 5.92705 numMergedOcc 0
18 mol 61 unq 1 iso 0 dist 4.628 8.30431 8.0979 6.32949 5.92705 9.62468 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 10.5627 6.89722 7.26679 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 5.39171 8.60363 5.05066 10.5627 6.89722 10.1503 numMergedOcc 0
21 mol 73 unq 2 iso 0 dist 9.27355 5.39171 5.47475 10.8067 9.68526 11.7436 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 9.27355 5.39171 5.47475 10.5627 7.26679 6.89722 numMergedOcc 0
23 mol 73 unq 4 iso 0 dist 9.27355 5.39171 5.47475 17.4113 9.30776 14.4206 numMergedOcc 0
24 mol 73 unq 5 iso 0 dist 9.27355 8.60363 4.4628 10.8067 9.68526 9.72442 numMergedOcc 0
25 mol 73 unq 6 iso 0 dist 9.27355 8.60363 4.4628 10.5627 7.26679 10.1503 numMergedOcc 0
26 mol 73 unq 7 iso 0 dist 9.27355 8.60363 4.4628 17.4113 9.30776 13.2514 numMergedOcc 0
27 mol 73 unq 8 iso 0 dist 8.60363 5.39171 5.05066 10.8067 9.72442 11.7436 numMergedOcc 0
28 mol 73 unq 9 iso 0 dist 8.60363 5.39171 5.05066 16.3515 9.02288 11.1478 numMergedOcc 0
29 mol 73 unq 10 iso 0 dist 8.60363 9.27355 4.4628 10.8067 9.72442 9.68526 numMergedOcc 0
30 mol 73 unq 11 iso 0 dist 8.60363 9.27355 4.4628 16.3515 9.02288 9.75201 numMergedOcc 0
31 mol 92 unq 0 iso 0 dist 8.67865 9.56884 14.4981 5.1767 4.98104 12.9107 numMergedOcc 0
32 mol 92 unq 1 iso 0 dist 8.67865 8.40148 10.1168 5.1767 4.98104 10.7379 numMergedOcc 0
33 mol 102 unq 0 iso 0 dist 5.43401 8.63522 3.9342 7.49575 9.10229 12.8661 numMergedOcc 0
34 mol 108 unq 0 iso 0 dist 9.32474 8.80334 6.45014 5.60268 7.29462 5.4057 numMergedOcc 0
35 mol 108 unq 1 iso 0 dist 8.80334 9.32474 6.45014 5.60268 5.4057 7.29462 numMergedOcc 0
36 mol 114 unq 0 iso 0 dist 5.31281 8.9922 5.67339 7.65733 7.25166 12.8848 numMergedOcc 0
37 mol 114 unq 1 iso 0 dist 5.31281 8.9922 5.67339 5.24877 8.42445 10.2889 numMergedOcc 0
38 mol 133 unq 0 iso 0 dist 7.96689 4.83134 8.94234 11.9436 9.48243 13.7358 numMergedOcc 0
39 mol 133 unq 1 iso 0 dist 9.6582 5.17734 8.94234 16.3678 9.48243 13.7358 numMergedOcc 0
40 mol 133 unq 2 iso 0 dist 7.50126 5.12189 11.0817 15.9524 8.84018 18.3258 numMergedOcc 0
41 mol 175 unq 0 iso 0 dist 6.21546 8.6609 6.77498 5.73338 8.69888 10.7272 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 6.21546 6.03184 7.01839 5.73338 8.69888 5.08206 numMergedOcc 0
43 mol 175 unq 2 iso 0 dist 6.03184 8.6609 12.0951 5.52686 9.57611 13.3201 numMergedOcc 0
44 mol 175 unq 3 iso 0 dist 6.03184 8.6609 12.0951 5.73338 5.08206 10.7272 numMergedOcc 0
45 mol 175 unq 4 iso 0 dist 6.03184 6.21546 7.01839 5.52686 9.57611 11.3646 numMergedOcc 0
46 mol 175 unq 5 iso 0 dist 6.03184 6.21546 7.01839 5.73338 5.08206 8.69888 numMergedOcc 0
47 mol 178 unq 0 iso 0 dist 8.14441 6.25455 5.82281 13.6129 8.0974 12.1615 numMergedOcc 0
48 mol 194 unq 0 iso 0 dist 7.38622 8.82165 4.87816 5.55582 7.32478 9.48439 numMergedOcc 0
49 mol 194 unq 1 iso 0 dist 8.82165 7.38622 4.87816 5.55582 9.48439 7.32478 numMergedOcc 0
50 mol 197 unq 0 iso 0 dist 8.51118 6.5 7.28269 8.58314 8.64255 10.499 numMergedOcc 0
51 mol 199 unq 0 iso 0 dist 9.88917 9.56785 10.3162 11.2655 8.68505 12.7467 numMergedOcc 0
52 mol 199 unq 1 iso 0 dist 9.56785 9.88917 10.3162 5.60906 9.60407 12.6059 numMergedOcc 0
53 mol 205 unq 0 iso 0 dist 9.89311 7.71155 6.26321 14.1114 7.07183 11.098 numMergedOcc 0
54 mol 206 unq 0 iso 0 dist 7.65323 4.51269 7.34999 6.68626 9.99185 10.9686 numMergedOcc 0
55 mol 206 unq 1 iso 0 dist 7.65323 4.51269 7.34999 7.20088 8.31638 10.1373 numMergedOcc 0
56 mol 206 unq 2 iso 0 dist 8.63033 8.02214 7.07077 12.1408 9.72979 15.8867 numMergedOcc 0
57 mol 206 unq 3 iso 0 dist 8.63033 8.02214 7.07077 9.19627 6.97859 12.2199 numMergedOcc 0
58 mol 210 unq 0 iso 0 dist 6.24111 8.60412 9.07869 13.3929 9.67457 9.90494 numMergedOcc 0
59 mol 210 unq 1 iso 0 dist 9.00343 7.05535 9.07869 12.3088 9.67457 9.90494 numMergedOcc 0
60 mol 211 unq 0 iso 0 dist 9.8921 8.50841 8.59334 11.3877 8.63308 10.546 numMergedOcc 0
61 mol 214 unq 0 iso 0 dist 9.81136 7.25293 9.46821 17.404 8.49704 14.249 numMergedOcc 0
62 mol 220 unq 0 iso 0 dist 7.57712 7.20255 5.88344 6.19375 7.31105 10.2676 numMergedOcc 0
63 mol 224 unq 0 iso 0 dist 5.97988 9.37276 8.07582 6.70321 6.08709 13.3653 numMergedOcc 0
64 mol 224 unq 1 iso 0 dist 6.6537 9.08719 11.6002 4.55824 9.75313 6.08709 numMergedOcc 0
65 mol 224 unq 2 iso 0 dist 9.08719 6.6537 11.6002 4.55824 6.08709 9.75313 numMergedOcc 0
66 mol 238 unq 0 iso 0 dist 6.74214 5.33462 4.85921 6.3873 9.31417 5.56719 numMergedOcc 0
67 mol 238 unq 1 iso 0 dist 5.33462 6.74214 4.85921 6.3873 5.56719 9.31417 numMergedOcc 0
68 mol 249 unq 0 iso 0 dist 6.18866 9.3807 5.2966 6.28944 5.78121 10.4288 numMergedOcc 0
69 mol 249 unq 1 iso 0 dist 6.18866 9.3807 5.2966 12.5843 7.29898 8.91685 numMergedOcc 0
70 mol 249 unq 2 iso 0 dist 9.3807 6.18866 5.2966 12.5843 8.91685 7.29898 numMergedOcc 0
71 mol 258 unq 0 iso 0 dist 7.70189 6.08181 9.86352 9.78068 8.58088 15.2652 numMergedOcc 0
72 mol 259 unq 0 iso 0 dist 4.55368 8.91916 4.70261 6.18571 7.93997 12.2198 numMergedOcc 0
73 mol 265 unq 0 iso 0 dist 9.56472 6.5072 10.1588 15.3912 9.72927 18.9075 numMergedOcc 0
74 mol 265 unq 1 iso 0 dist 9.56472 4.03921 13.1954 15.3912 9.72927 18.8298 numMergedOcc 0
75 mol 274 unq 0 iso 0 dist 9.07452 7.21004 10.3541 6.11218 7.80446 9.91395 numMergedOcc 0
76 mol 274 unq 1 iso 0 dist 9.07452 7.21004 10.3541 11.3921 9.86142 13.506 numMergedOcc 0
77 mol 274 unq 2 iso 0 dist 7.21004 9.07452 10.3541 6.11218 9.91395 7.80446 numMergedOcc 0
78 mol 274 unq 3 iso 0 dist 6.44266 8.75703 10.3541 6.98398 7.80446 9.91395 numMergedOcc 0
79 mol 274 unq 4 iso 0 dist 6.44266 8.75703 10.3541 6.99898 9.86142 13.506 numMergedOcc 0
80 mol 274 unq 5 iso 0 dist 8.75703 6.44266 10.3541 6.98398 9.91395 7.80446 numMergedOcc 0
81 mol 284 unq 0 iso 0 dist 8.60951 9.1882 7.36026 4.59796 8.10742 10.6254 numMergedOcc 0
82 mol 285 unq 0 iso 0 dist 4.74716 8.63954 6.55738 5.93692 8.71213 13.8061 numMergedOcc 0
