0 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 5.11636 8.24948 9.57743 9.30028 13.3652 9.65174 7.7447 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.72502 5.97304 9.38831 5.11636 8.24948 4.47891 14.9512 15.0537 9.41655 12.089 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.72502 5.97304 9.38831 5.11636 8.24948 4.47891 12.1131 12.8421 6.803 10.4905 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.93832 7.05402 7.31982 10.8828 7.24352 4.69849 7.39848 6.59887 9.82307 12.2699 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.60739 5.48048 7.31982 5.07458 7.24352 4.69849 11.4251 6.59887 9.82307 12.2699 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 9.81831 11.6865 5.51624 16.1023 7.8435 4.97727 14.4051 5.99863 9.30843 8.28591 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 9.81831 11.6865 5.51624 13.1721 5.99269 5.77343 14.4051 5.99863 9.30843 5.35008 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 9.81831 11.6865 5.51624 9.34182 5.71763 11.0802 14.4051 5.99863 9.30843 8.30921 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 9.81831 12.2598 7.8674 16.1023 7.8435 13.8087 14.4051 5.99863 6.25522 8.28591 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 9.81831 12.2598 7.8674 16.1023 7.8435 13.8087 15.275 6.15015 7.87145 9.40687 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 9.81831 12.2598 7.8674 16.1023 7.8435 13.8087 18.8402 10.9803 9.30914 14.4367 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 9.81831 12.2598 7.8674 13.1721 5.99269 9.96831 14.4051 5.99863 6.25522 5.35008 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 9.81831 12.2598 7.8674 13.1721 5.99269 9.96831 15.275 6.15015 7.87145 8.84576 numMergedOcc 0
13 mol 93 unq 8 iso 0 dist 9.81831 12.2598 7.8674 13.1721 5.99269 9.96831 18.8402 10.9803 9.30914 13.704 numMergedOcc 0
14 mol 93 unq 9 iso 0 dist 9.81831 12.2598 7.8674 9.34182 5.71763 5.33894 14.4051 5.99863 6.25522 8.30921 numMergedOcc 0
15 mol 93 unq 10 iso 0 dist 9.81831 12.2598 7.8674 9.34182 5.71763 5.33894 15.275 6.15015 7.87145 7.39732 numMergedOcc 0
16 mol 93 unq 11 iso 0 dist 9.81831 12.2598 7.8674 9.34182 5.71763 5.33894 18.8402 10.9803 9.30914 9.67744 numMergedOcc 0
17 mol 93 unq 12 iso 0 dist 9.12858 7.64463 5.51624 12.4934 7.8435 4.97727 14.2439 5.99863 9.30843 8.28591 numMergedOcc 0
18 mol 93 unq 13 iso 0 dist 9.12858 7.64463 5.51624 11.0537 5.99269 5.77343 14.2439 5.99863 9.30843 5.35008 numMergedOcc 0
19 mol 93 unq 14 iso 0 dist 9.12858 7.64463 5.51624 12.0103 5.71763 11.0802 14.2439 5.99863 9.30843 8.30921 numMergedOcc 0
20 mol 93 unq 15 iso 0 dist 9.12858 14.8533 7.8674 12.4934 7.8435 13.8087 14.2439 5.99863 6.25522 8.28591 numMergedOcc 0
21 mol 93 unq 16 iso 0 dist 9.12858 14.8533 7.8674 12.4934 7.8435 13.8087 15.2216 6.15015 7.87145 9.40687 numMergedOcc 0
22 mol 93 unq 17 iso 0 dist 9.12858 14.8533 7.8674 12.4934 7.8435 13.8087 19.9253 10.9803 9.30914 14.4367 numMergedOcc 0
23 mol 93 unq 18 iso 0 dist 9.12858 14.8533 7.8674 11.0537 5.99269 9.96831 14.2439 5.99863 6.25522 5.35008 numMergedOcc 0
24 mol 93 unq 19 iso 0 dist 9.12858 14.8533 7.8674 11.0537 5.99269 9.96831 15.2216 6.15015 7.87145 8.84576 numMergedOcc 0
25 mol 93 unq 20 iso 0 dist 9.12858 14.8533 7.8674 11.0537 5.99269 9.96831 19.9253 10.9803 9.30914 13.704 numMergedOcc 0
26 mol 93 unq 21 iso 0 dist 9.12858 14.8533 7.8674 12.0103 5.71763 5.33894 14.2439 5.99863 6.25522 8.30921 numMergedOcc 0
27 mol 93 unq 22 iso 0 dist 9.12858 14.8533 7.8674 12.0103 5.71763 5.33894 15.2216 6.15015 7.87145 7.39732 numMergedOcc 0
28 mol 93 unq 23 iso 0 dist 9.12858 14.8533 7.8674 12.0103 5.71763 5.33894 19.9253 10.9803 9.30914 9.67744 numMergedOcc 0
29 mol 93 unq 24 iso 0 dist 9.4523 8.29171 5.51624 10.8106 7.8435 4.97727 11.2863 5.99863 9.30843 8.28591 numMergedOcc 0
30 mol 93 unq 25 iso 0 dist 9.4523 8.29171 5.51624 7.14217 5.99269 5.77343 11.2863 5.99863 9.30843 5.35008 numMergedOcc 0
31 mol 93 unq 26 iso 0 dist 9.4523 8.29171 5.51624 12.9351 5.71763 11.0802 11.2863 5.99863 9.30843 8.30921 numMergedOcc 0
32 mol 93 unq 27 iso 0 dist 9.4523 12.7936 7.8674 10.8106 7.8435 13.8087 11.2863 5.99863 6.25522 8.28591 numMergedOcc 0
33 mol 93 unq 28 iso 0 dist 9.4523 12.7936 7.8674 10.8106 7.8435 13.8087 14.6786 6.15015 7.87145 9.40687 numMergedOcc 0
34 mol 93 unq 29 iso 0 dist 9.4523 12.7936 7.8674 10.8106 7.8435 13.8087 19.377 10.9803 9.30914 14.4367 numMergedOcc 0
35 mol 93 unq 30 iso 0 dist 9.4523 12.7936 7.8674 7.14217 5.99269 9.96831 11.2863 5.99863 6.25522 5.35008 numMergedOcc 0
36 mol 93 unq 31 iso 0 dist 9.4523 12.7936 7.8674 7.14217 5.99269 9.96831 14.6786 6.15015 7.87145 8.84576 numMergedOcc 0
37 mol 93 unq 32 iso 0 dist 9.4523 12.7936 7.8674 7.14217 5.99269 9.96831 19.377 10.9803 9.30914 13.704 numMergedOcc 0
38 mol 93 unq 33 iso 0 dist 9.4523 12.7936 7.8674 12.9351 5.71763 5.33894 11.2863 5.99863 6.25522 8.30921 numMergedOcc 0
39 mol 93 unq 34 iso 0 dist 9.4523 12.7936 7.8674 12.9351 5.71763 5.33894 14.6786 6.15015 7.87145 7.39732 numMergedOcc 0
40 mol 93 unq 35 iso 0 dist 9.4523 12.7936 7.8674 12.9351 5.71763 5.33894 19.377 10.9803 9.30914 9.67744 numMergedOcc 0
41 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 6.9194 9.6121 6.71103 10.1864 10.7475 7.62197 4.55071 numMergedOcc 0
42 mol 119 unq 1 iso 0 dist 7.77116 4.91132 8.03035 9.68677 9.57341 6.29394 10.1864 10.7475 7.62197 12.3503 numMergedOcc 0
43 mol 131 unq 0 iso 0 dist 9.15431 7.21005 7.76594 4.57579 6.78801 4.24991 11.6414 9.93041 4.48699 8.49847 numMergedOcc 0
44 mol 131 unq 1 iso 0 dist 6.92648 11.5688 7.76594 8.57203 6.78801 4.24991 15.2551 9.93041 4.48699 8.49847 numMergedOcc 0
45 mol 131 unq 2 iso 0 dist 9.29384 15.7796 7.76594 12.6005 6.78801 4.24991 18.8134 9.93041 4.48699 8.49847 numMergedOcc 0
46 mol 140 unq 0 iso 0 dist 5.39064 8.83949 6.98813 4.91618 7.19291 7.10913 16.0661 12.005 8.3735 15.1961 numMergedOcc 0
47 mol 140 unq 1 iso 0 dist 5.39064 8.83949 6.98813 4.75859 6.66504 6.30391 16.0661 12.005 8.3735 13.5273 numMergedOcc 0
48 mol 152 unq 0 iso 0 dist 9.77552 7.2238 6.39031 12.4535 6.92726 5.55763 7.55934 6.69469 9.48674 12.0843 numMergedOcc 0
49 mol 152 unq 1 iso 0 dist 8.28642 5.59336 6.39031 9.84297 6.92726 5.55763 11.2397 6.69469 9.48674 12.0843 numMergedOcc 0
50 mol 152 unq 2 iso 0 dist 8.35555 7.78913 8.60521 4.94983 7.1069 10.6183 6.79114 4.78989 5.42715 8.60651 numMergedOcc 0
51 mol 152 unq 3 iso 0 dist 8.35555 7.78913 8.60521 4.94983 7.1069 10.6183 7.59457 9.43672 9.70575 10.6225 numMergedOcc 0
52 mol 152 unq 4 iso 0 dist 8.35555 5.70788 6.39031 4.94983 7.1069 4.71678 6.79114 4.78989 7.34557 8.60651 numMergedOcc 0
53 mol 186 unq 0 iso 0 dist 9.83476 6.87725 8.12349 13.6744 7.04815 9.57029 10.0218 6.3786 9.12783 5.81881 numMergedOcc 0
54 mol 186 unq 1 iso 0 dist 9.83476 6.87725 8.12349 15.0914 6.07389 10.8203 10.0218 6.3786 9.12783 9.84648 numMergedOcc 0
55 mol 194 unq 0 iso 0 dist 6.26839 6.66155 5.52678 10.0756 5.53324 5.28603 9.52922 7.82899 5.13892 4.45769 numMergedOcc 0
56 mol 194 unq 1 iso 0 dist 6.26839 6.66155 5.52678 10.0756 5.53324 5.28603 11.7672 10.0237 5.78717 5.89939 numMergedOcc 0
57 mol 194 unq 2 iso 0 dist 6.26839 6.66155 5.52678 11.8031 6.72182 9.8803 9.52922 7.82899 5.13892 12.9621 numMergedOcc 0
58 mol 194 unq 3 iso 0 dist 6.26839 6.66155 5.52678 11.8031 6.72182 9.8803 11.7672 10.0237 5.78717 13.7206 numMergedOcc 0
59 mol 194 unq 4 iso 0 dist 6.26839 5.4499 9.81666 10.0756 5.53324 11.0713 9.52922 7.82899 8.2232 4.45769 numMergedOcc 0
60 mol 194 unq 5 iso 0 dist 6.26839 5.4499 9.81666 11.8031 6.72182 15.9964 9.52922 7.82899 8.2232 12.9621 numMergedOcc 0
61 mol 194 unq 6 iso 0 dist 8.12346 6.12973 5.52678 10.2793 5.53324 5.28603 11.2599 7.82899 5.13892 4.45769 numMergedOcc 0
62 mol 194 unq 7 iso 0 dist 8.12346 6.12973 5.52678 10.2793 5.53324 5.28603 11.0369 10.0237 5.78717 5.89939 numMergedOcc 0
63 mol 194 unq 8 iso 0 dist 8.12346 6.12973 5.52678 9.09233 6.72182 9.8803 11.2599 7.82899 5.13892 12.9621 numMergedOcc 0
64 mol 194 unq 9 iso 0 dist 8.12346 6.12973 5.52678 9.09233 6.72182 9.8803 11.0369 10.0237 5.78717 13.7206 numMergedOcc 0
65 mol 194 unq 10 iso 0 dist 8.12346 11.0239 9.81666 10.2793 5.53324 11.0713 11.2599 7.82899 8.2232 4.45769 numMergedOcc 0
66 mol 194 unq 11 iso 0 dist 8.12346 11.0239 9.81666 9.09233 6.72182 15.9964 11.2599 7.82899 8.2232 12.9621 numMergedOcc 0
67 mol 194 unq 12 iso 0 dist 8.83356 13.0333 5.52678 10.463 5.53324 5.28603 14.7152 7.82899 5.13892 4.45769 numMergedOcc 0
68 mol 194 unq 13 iso 0 dist 8.83356 13.0333 5.52678 10.463 5.53324 5.28603 15.9798 10.0237 5.78717 5.89939 numMergedOcc 0
69 mol 194 unq 14 iso 0 dist 8.83356 13.0333 5.52678 4.66791 6.72182 9.8803 14.7152 7.82899 5.13892 12.9621 numMergedOcc 0
70 mol 194 unq 15 iso 0 dist 8.83356 13.0333 5.52678 4.66791 6.72182 9.8803 15.9798 10.0237 5.78717 13.7206 numMergedOcc 0
71 mol 194 unq 16 iso 0 dist 8.83356 18.6469 9.81666 10.463 5.53324 11.0713 14.7152 7.82899 8.2232 4.45769 numMergedOcc 0
72 mol 194 unq 17 iso 0 dist 8.83356 18.6469 9.81666 4.66791 6.72182 15.9964 14.7152 7.82899 8.2232 12.9621 numMergedOcc 0
73 mol 194 unq 18 iso 0 dist 8.2654 10.1796 5.52678 12.8494 5.53324 5.28603 14.7929 7.82899 5.13892 4.45769 numMergedOcc 0
74 mol 194 unq 19 iso 0 dist 8.2654 10.1796 5.52678 12.8494 5.53324 5.28603 15.7836 10.0237 5.78717 5.89939 numMergedOcc 0
75 mol 194 unq 20 iso 0 dist 8.2654 10.1796 5.52678 7.73551 6.72182 9.8803 14.7929 7.82899 5.13892 12.9621 numMergedOcc 0
76 mol 194 unq 21 iso 0 dist 8.2654 10.1796 5.52678 7.73551 6.72182 9.8803 15.7836 10.0237 5.78717 13.7206 numMergedOcc 0
77 mol 194 unq 22 iso 0 dist 8.2654 13.5457 9.81666 12.8494 5.53324 11.0713 14.7929 7.82899 8.2232 4.45769 numMergedOcc 0
78 mol 194 unq 23 iso 0 dist 8.2654 13.5457 9.81666 7.73551 6.72182 15.9964 14.7929 7.82899 8.2232 12.9621 numMergedOcc 0
79 mol 237 unq 0 iso 0 dist 7.42587 13.1083 9.84466 6.01528 8.7414 9.39277 15.2983 8.0982 9.61703 14.7819 numMergedOcc 0
80 mol 252 unq 0 iso 0 dist 6.53679 6.28227 8.55481 5.6214 5.9974 4.34126 14.2216 14.8966 8.38453 9.81261 numMergedOcc 0
81 mol 252 unq 1 iso 0 dist 7.50201 5.25252 8.55481 7.40852 5.9974 4.34126 12.9602 14.8966 8.38453 9.81261 numMergedOcc 0
82 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 5.71153 6.02757 5.82131 12.2625 7.06901 8.78525 12.2745 numMergedOcc 0
83 mol 264 unq 1 iso 0 dist 7.52281 4.48907 5.74568 6.87635 8.67231 9.58444 12.2625 7.06901 8.78525 15.5825 numMergedOcc 0
84 mol 264 unq 2 iso 0 dist 6.42588 10.1591 5.74568 6.56539 6.02757 5.82131 13.2341 7.06901 8.78525 12.2745 numMergedOcc 0
85 mol 264 unq 3 iso 0 dist 6.42588 10.1591 5.74568 4.76241 8.67231 9.58444 13.2341 7.06901 8.78525 15.5825 numMergedOcc 0
