0 mol 20 unq 0 iso 0 dist 9.47968 12.6153 8.72023 12.5088 8.25405 5.48225 17.8654 9.46385 10.3469 7.99756 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.46609 13.1626 8.44506 6.0606 6.38243 7.11305 13.1741 12.4814 7.98005 8.97754 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 3.91263 7.8435 16.1023 5.10693 12.5638 21.9971 6.67678 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 3.91263 7.8435 16.1023 6.58814 12.4215 21.7795 7.24956 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 8.42713 17.674 9.81831 3.91263 7.8435 16.1023 6.13459 5.99863 14.4051 8.28591 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 8.42713 17.674 9.81831 3.91263 7.8435 16.1023 7.54391 6.15015 15.275 9.40687 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 8.42713 17.674 9.81831 5.59024 5.99269 13.1721 6.13459 5.99863 14.4051 5.35008 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 8.42713 17.674 9.81831 5.59024 5.99269 13.1721 7.54391 6.15015 15.275 8.84576 numMergedOcc 0
8 mol 93 unq 6 iso 0 dist 8.42713 17.674 9.81831 12.9872 5.71763 9.34182 6.13459 5.99863 14.4051 8.30921 numMergedOcc 0
9 mol 93 unq 7 iso 0 dist 8.42713 17.674 9.81831 12.9872 5.71763 9.34182 7.54391 6.15015 15.275 7.39732 numMergedOcc 0
10 mol 93 unq 8 iso 0 dist 8.42713 17.674 9.81831 12.9872 5.71763 9.34182 11.8972 10.9803 18.8402 9.67744 numMergedOcc 0
11 mol 93 unq 9 iso 0 dist 8.42713 15.232 9.12858 3.91263 7.8435 12.4934 5.10693 12.5638 18.9177 6.67678 numMergedOcc 0
12 mol 93 unq 10 iso 0 dist 8.42713 15.232 9.12858 3.91263 7.8435 12.4934 6.58814 12.4215 18.5963 7.24956 numMergedOcc 0
13 mol 93 unq 11 iso 0 dist 8.42713 15.232 9.12858 3.91263 7.8435 12.4934 6.13459 5.99863 14.2439 8.28591 numMergedOcc 0
14 mol 93 unq 12 iso 0 dist 8.42713 15.232 9.12858 3.91263 7.8435 12.4934 7.54391 6.15015 15.2216 9.40687 numMergedOcc 0
15 mol 93 unq 13 iso 0 dist 8.42713 15.232 9.12858 5.59024 5.99269 11.0537 6.13459 5.99863 14.2439 5.35008 numMergedOcc 0
16 mol 93 unq 14 iso 0 dist 8.42713 15.232 9.12858 5.59024 5.99269 11.0537 7.54391 6.15015 15.2216 8.84576 numMergedOcc 0
17 mol 93 unq 15 iso 0 dist 8.42713 15.232 9.12858 12.9872 5.71763 12.0103 6.13459 5.99863 14.2439 8.30921 numMergedOcc 0
18 mol 93 unq 16 iso 0 dist 8.42713 15.232 9.12858 12.9872 5.71763 12.0103 7.54391 6.15015 15.2216 7.39732 numMergedOcc 0
19 mol 93 unq 17 iso 0 dist 8.42713 15.232 9.12858 12.9872 5.71763 12.0103 11.8972 10.9803 19.9253 9.67744 numMergedOcc 0
20 mol 93 unq 18 iso 0 dist 8.42713 12.5871 9.4523 3.91263 7.8435 10.8106 5.10693 12.5638 17.12 6.67678 numMergedOcc 0
21 mol 93 unq 19 iso 0 dist 8.42713 12.5871 9.4523 3.91263 7.8435 10.8106 6.58814 12.4215 17.9688 7.24956 numMergedOcc 0
22 mol 93 unq 20 iso 0 dist 8.42713 12.5871 9.4523 3.91263 7.8435 10.8106 6.13459 5.99863 11.2863 8.28591 numMergedOcc 0
23 mol 93 unq 21 iso 0 dist 8.42713 12.5871 9.4523 3.91263 7.8435 10.8106 7.54391 6.15015 14.6786 9.40687 numMergedOcc 0
24 mol 93 unq 22 iso 0 dist 8.42713 12.5871 9.4523 5.59024 5.99269 7.14217 6.13459 5.99863 11.2863 5.35008 numMergedOcc 0
25 mol 93 unq 23 iso 0 dist 8.42713 12.5871 9.4523 5.59024 5.99269 7.14217 7.54391 6.15015 14.6786 8.84576 numMergedOcc 0
26 mol 93 unq 24 iso 0 dist 8.42713 12.5871 9.4523 12.9872 5.71763 12.9351 6.13459 5.99863 11.2863 8.30921 numMergedOcc 0
27 mol 93 unq 25 iso 0 dist 8.42713 12.5871 9.4523 12.9872 5.71763 12.9351 7.54391 6.15015 14.6786 7.39732 numMergedOcc 0
28 mol 93 unq 26 iso 0 dist 8.42713 12.5871 9.4523 12.9872 5.71763 12.9351 11.8972 10.9803 19.377 9.67744 numMergedOcc 0
29 mol 93 unq 27 iso 0 dist 8.21032 6.25741 9.81831 15.8131 7.8435 16.1023 20.3732 12.5638 21.9971 6.67678 numMergedOcc 0
30 mol 93 unq 28 iso 0 dist 8.21032 6.25741 9.81831 15.8131 7.8435 16.1023 19.7203 12.4215 21.7795 7.24956 numMergedOcc 0
31 mol 93 unq 29 iso 0 dist 8.21032 6.25741 9.81831 15.8131 7.8435 16.1023 12.7932 5.99863 14.4051 8.28591 numMergedOcc 0
32 mol 93 unq 30 iso 0 dist 8.21032 6.25741 9.81831 15.8131 7.8435 16.1023 11.756 6.15015 15.275 9.40687 numMergedOcc 0
33 mol 93 unq 31 iso 0 dist 8.21032 6.25741 9.81831 13.6266 5.99269 13.1721 12.7932 5.99863 14.4051 5.35008 numMergedOcc 0
34 mol 93 unq 32 iso 0 dist 8.21032 6.25741 9.81831 13.6266 5.99269 13.1721 11.756 6.15015 15.275 8.84576 numMergedOcc 0
35 mol 93 unq 33 iso 0 dist 8.21032 6.25741 9.81831 5.17052 5.71763 9.34182 12.7932 5.99863 14.4051 8.30921 numMergedOcc 0
36 mol 93 unq 34 iso 0 dist 8.21032 6.25741 9.81831 5.17052 5.71763 9.34182 11.756 6.15015 15.275 7.39732 numMergedOcc 0
37 mol 93 unq 35 iso 0 dist 8.21032 6.25741 9.81831 5.17052 5.71763 9.34182 14.2505 10.9803 18.8402 9.67744 numMergedOcc 0
38 mol 93 unq 36 iso 0 dist 8.21032 10.0172 9.12858 15.8131 7.8435 12.4934 20.3732 12.5638 18.9177 6.67678 numMergedOcc 0
39 mol 93 unq 37 iso 0 dist 8.21032 10.0172 9.12858 15.8131 7.8435 12.4934 19.7203 12.4215 18.5963 7.24956 numMergedOcc 0
40 mol 93 unq 38 iso 0 dist 8.21032 10.0172 9.12858 15.8131 7.8435 12.4934 12.7932 5.99863 14.2439 8.28591 numMergedOcc 0
41 mol 93 unq 39 iso 0 dist 8.21032 10.0172 9.12858 15.8131 7.8435 12.4934 11.756 6.15015 15.2216 9.40687 numMergedOcc 0
42 mol 93 unq 40 iso 0 dist 8.21032 10.0172 9.12858 13.6266 5.99269 11.0537 12.7932 5.99863 14.2439 5.35008 numMergedOcc 0
43 mol 93 unq 41 iso 0 dist 8.21032 10.0172 9.12858 13.6266 5.99269 11.0537 11.756 6.15015 15.2216 8.84576 numMergedOcc 0
44 mol 93 unq 42 iso 0 dist 8.21032 10.0172 9.12858 5.17052 5.71763 12.0103 12.7932 5.99863 14.2439 8.30921 numMergedOcc 0
45 mol 93 unq 43 iso 0 dist 8.21032 10.0172 9.12858 5.17052 5.71763 12.0103 11.756 6.15015 15.2216 7.39732 numMergedOcc 0
46 mol 93 unq 44 iso 0 dist 8.21032 10.0172 9.12858 5.17052 5.71763 12.0103 14.2505 10.9803 19.9253 9.67744 numMergedOcc 0
47 mol 93 unq 45 iso 0 dist 8.21032 13.6269 9.4523 15.8131 7.8435 10.8106 20.3732 12.5638 17.12 6.67678 numMergedOcc 0
48 mol 93 unq 46 iso 0 dist 8.21032 13.6269 9.4523 15.8131 7.8435 10.8106 19.7203 12.4215 17.9688 7.24956 numMergedOcc 0
49 mol 93 unq 47 iso 0 dist 8.21032 13.6269 9.4523 15.8131 7.8435 10.8106 12.7932 5.99863 11.2863 8.28591 numMergedOcc 0
50 mol 93 unq 48 iso 0 dist 8.21032 13.6269 9.4523 15.8131 7.8435 10.8106 11.756 6.15015 14.6786 9.40687 numMergedOcc 0
51 mol 93 unq 49 iso 0 dist 8.21032 13.6269 9.4523 13.6266 5.99269 7.14217 12.7932 5.99863 11.2863 5.35008 numMergedOcc 0
52 mol 93 unq 50 iso 0 dist 8.21032 13.6269 9.4523 13.6266 5.99269 7.14217 11.756 6.15015 14.6786 8.84576 numMergedOcc 0
53 mol 93 unq 51 iso 0 dist 8.21032 13.6269 9.4523 5.17052 5.71763 12.9351 12.7932 5.99863 11.2863 8.30921 numMergedOcc 0
54 mol 93 unq 52 iso 0 dist 8.21032 13.6269 9.4523 5.17052 5.71763 12.9351 11.756 6.15015 14.6786 7.39732 numMergedOcc 0
55 mol 93 unq 53 iso 0 dist 8.21032 13.6269 9.4523 5.17052 5.71763 12.9351 14.2505 10.9803 19.377 9.67744 numMergedOcc 0
56 mol 171 unq 0 iso 0 dist 6.69054 5.58953 9.11712 8.2542 8.999 4.00127 14.7028 11.6193 11.9039 9.68512 numMergedOcc 0
57 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 12.1522 5.53324 10.0756 15.1012 7.82899 9.52922 4.45769 numMergedOcc 0
58 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 12.1522 5.53324 10.0756 16.5446 10.0237 11.7672 5.89939 numMergedOcc 0
59 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 12.1522 5.53324 10.2793 15.1012 7.82899 11.2599 4.45769 numMergedOcc 0
60 mol 194 unq 3 iso 0 dist 7.47107 9.36943 8.12346 12.1522 5.53324 10.2793 16.5446 10.0237 11.0369 5.89939 numMergedOcc 0
61 mol 194 unq 4 iso 0 dist 7.47107 7.72655 8.83356 12.1522 5.53324 10.463 15.1012 7.82899 14.7152 4.45769 numMergedOcc 0
62 mol 194 unq 5 iso 0 dist 7.47107 7.72655 8.83356 12.1522 5.53324 10.463 16.5446 10.0237 15.9798 5.89939 numMergedOcc 0
63 mol 194 unq 6 iso 0 dist 7.47107 4.57265 8.2654 12.1522 5.53324 12.8494 15.1012 7.82899 14.7929 4.45769 numMergedOcc 0
64 mol 194 unq 7 iso 0 dist 7.47107 4.57265 8.2654 12.1522 5.53324 12.8494 16.5446 10.0237 15.7836 5.89939 numMergedOcc 0
65 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 11.1052 9.87668 17.3148 16.9432 13.9338 22.7648 8.74463 numMergedOcc 0
66 mol 251 unq 0 iso 0 dist 8.38382 8.64172 8.01198 10.909 6.42747 4.86046 14.3525 10.3735 11.6079 7.72528 numMergedOcc 0
67 mol 252 unq 0 iso 0 dist 5.22349 8.32163 6.11473 10.7358 9.39658 5.6214 11.9348 10.4138 11.065 7.62991 numMergedOcc 0
68 mol 252 unq 1 iso 0 dist 5.22349 8.32163 6.11473 10.7358 9.39658 5.6214 19.7686 19.1465 14.2216 9.81261 numMergedOcc 0
69 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 3.63202 7.14086 11.4167 12.106 9.4435 14.1991 8.55386 numMergedOcc 0
70 mol 264 unq 1 iso 0 dist 8.28871 13.8765 6.14323 3.63202 7.14086 13.2035 12.106 9.4435 13.9142 8.55386 numMergedOcc 0
71 mol 264 unq 2 iso 0 dist 7.94668 5.21164 6.04162 13.3131 7.14086 11.4167 17.3508 9.4435 14.1991 8.55386 numMergedOcc 0
72 mol 264 unq 3 iso 0 dist 7.94668 6.12009 6.14323 13.3131 7.14086 13.2035 17.3508 9.4435 13.9142 8.55386 numMergedOcc 0
73 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 3.77031 5.8304 6.5644 5.96259 7.93548 10.6394 4.98693 numMergedOcc 0
74 mol 279 unq 1 iso 0 dist 5.63154 8.33297 6.43341 3.77031 5.8304 9.40912 5.96259 7.93548 13.2372 4.98693 numMergedOcc 0
