0 mol 14 unq 0 iso 0 dist 7.0208 10.5465 9.58196 12.1294 5.53425 9.7022 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.0208 10.5465 9.58196 9.64431 4.53725 9.04767 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 7.28563 12.3645 9.58196 12.5485 5.53425 9.7022 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 7.28563 12.3645 9.58196 8.51112 4.53725 9.04767 numMergedOcc 0
4 mol 14 unq 4 iso 0 dist 8.51112 12.3645 9.04767 12.5485 5.67201 9.7022 numMergedOcc 0
5 mol 14 unq 5 iso 0 dist 8.51112 12.3645 9.04767 7.28563 4.53725 9.58196 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.80849 13.9888 8.86116 16.8105 10.0952 6.86014 numMergedOcc 0
8 mol 38 unq 0 iso 0 dist 8.19077 6.12182 7.50293 13.1327 5.79773 9.91611 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 8.47617 5.06502 6.20293 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.99509 8.14351 5.73819 5.73331 5.89973 8.93915 numMergedOcc 0
11 mol 43 unq 2 iso 0 dist 8.47617 8.14351 6.20293 8.99509 5.06502 5.73819 numMergedOcc 0
12 mol 43 unq 3 iso 0 dist 8.47617 8.14351 6.20293 5.73331 6.45462 8.93915 numMergedOcc 0
13 mol 43 unq 4 iso 0 dist 5.73331 8.14351 8.93915 8.99509 5.89973 5.73819 numMergedOcc 0
14 mol 43 unq 5 iso 0 dist 5.73331 8.14351 8.93915 8.47617 6.45462 6.20293 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 11.2215 5.47421 7.32874 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 7.66055 5.76106 6.81627 14.5289 9.7274 9.55426 numMergedOcc 0
17 mol 60 unq 0 iso 0 dist 8.46609 4.72836 6.65595 12.0878 6.54743 8.90863 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 8.46609 12.4802 6.43294 18.3818 10.1562 8.33063 numMergedOcc 0
19 mol 60 unq 2 iso 0 dist 8.46609 12.4802 6.43294 13.7633 5.67502 8.7531 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 11.7388 6.87425 7.47541 numMergedOcc 0
21 mol 85 unq 1 iso 0 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 8.55238 10.7376 9.01083 11.4018 5.53837 7.2658 numMergedOcc 0
23 mol 95 unq 1 iso 0 dist 9.85406 16.7843 9.01083 15.2985 5.53837 7.2658 numMergedOcc 0
24 mol 95 unq 2 iso 0 dist 5.76199 11.5715 9.01083 10.9827 5.53837 7.2658 numMergedOcc 0
25 mol 95 unq 3 iso 0 dist 9.88504 4.12027 9.01083 11.0821 8.18643 7.88289 numMergedOcc 0
26 mol 95 unq 4 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 numMergedOcc 0
27 mol 95 unq 5 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 numMergedOcc 0
28 mol 95 unq 6 iso 0 dist 8.13273 14.1434 8.03644 15.9036 8.41707 7.27724 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 11.7895 8.02349 6.11741 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 12.9567 10.8507 7.30858 numMergedOcc 0
31 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 numMergedOcc 0
32 mol 115 unq 3 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 numMergedOcc 0
33 mol 115 unq 4 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 numMergedOcc 0
35 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 14.4108 9.05135 9.61051 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 9.05674 4.32516 6.5107 12.2159 9.56949 9.52634 numMergedOcc 0
37 mol 133 unq 1 iso 0 dist 6.53153 5.78974 9.91388 6.29975 6.69554 9.52634 numMergedOcc 0
38 mol 133 unq 2 iso 0 dist 6.53153 5.78974 9.91388 8.29673 6.761 7.24514 numMergedOcc 0
39 mol 133 unq 3 iso 0 dist 6.29975 5.78974 9.52634 6.53153 6.69554 9.91388 numMergedOcc 0
40 mol 133 unq 4 iso 0 dist 6.29975 5.78974 9.52634 8.29673 7.6656 7.24514 numMergedOcc 0
41 mol 133 unq 5 iso 0 dist 8.29673 5.78974 7.24514 6.53153 6.761 9.91388 numMergedOcc 0
42 mol 133 unq 6 iso 0 dist 8.29673 5.78974 7.24514 6.29975 7.6656 9.52634 numMergedOcc 0
43 mol 133 unq 7 iso 0 dist 8.29673 9.35671 8.22656 11.5292 5.61668 6.82262 numMergedOcc 0
44 mol 133 unq 8 iso 0 dist 8.94909 6.80087 8.00618 12.8006 11.965 6.29155 numMergedOcc 0
45 mol 133 unq 9 iso 0 dist 8.94909 6.80087 8.00618 9.73536 7.79672 6.80239 numMergedOcc 0
46 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 9.0847 5.42328 6.70283 numMergedOcc 0
47 mol 152 unq 1 iso 0 dist 9.37459 8.41711 5.87555 6.00061 5.54906 8.67331 numMergedOcc 0
48 mol 152 unq 2 iso 0 dist 9.37459 4.82496 8.87437 9.0847 5.42328 7.16148 numMergedOcc 0
49 mol 152 unq 3 iso 0 dist 9.37459 4.82496 8.87437 6.00061 5.54906 8.05741 numMergedOcc 0
50 mol 152 unq 4 iso 0 dist 9.0847 8.41711 6.70283 9.37459 5.42328 5.87555 numMergedOcc 0
51 mol 152 unq 5 iso 0 dist 9.0847 8.41711 6.70283 6.00061 6.4896 8.67331 numMergedOcc 0
52 mol 152 unq 6 iso 0 dist 9.0847 4.82496 7.16148 9.37459 5.42328 8.87437 numMergedOcc 0
53 mol 152 unq 7 iso 0 dist 9.0847 4.82496 7.16148 6.00061 6.4896 8.05741 numMergedOcc 0
54 mol 152 unq 8 iso 0 dist 6.00061 8.41711 8.67331 9.37459 5.54906 5.87555 numMergedOcc 0
55 mol 152 unq 9 iso 0 dist 6.00061 8.41711 8.67331 9.0847 6.4896 6.70283 numMergedOcc 0
56 mol 152 unq 10 iso 0 dist 6.00061 4.82496 8.05741 9.37459 5.54906 8.87437 numMergedOcc 0
57 mol 152 unq 11 iso 0 dist 6.00061 4.82496 8.05741 9.0847 6.4896 7.16148 numMergedOcc 0
58 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 12.5882 6.2715 5.6234 numMergedOcc 0
59 mol 175 unq 1 iso 0 dist 7.94593 13.2723 9.0018 15.3964 8.16421 6.57069 numMergedOcc 0
60 mol 175 unq 2 iso 0 dist 7.94593 8.63795 7.652 12.5882 6.2715 9.92231 numMergedOcc 0
61 mol 178 unq 0 iso 0 dist 5.41229 4.51874 6.69288 8.57378 5.34677 6.43573 numMergedOcc 0
62 mol 178 unq 1 iso 0 dist 5.41229 4.51874 6.69288 10.1979 11.7381 7.17202 numMergedOcc 0
63 mol 178 unq 2 iso 0 dist 5.41229 4.51874 6.69288 13.0631 14.0703 8.81551 numMergedOcc 0
64 mol 178 unq 3 iso 0 dist 8.57378 4.51874 6.43573 5.41229 5.34677 6.69288 numMergedOcc 0
65 mol 178 unq 4 iso 0 dist 8.57378 4.51874 6.43573 10.1979 9.89739 7.17202 numMergedOcc 0
66 mol 178 unq 5 iso 0 dist 8.57378 4.51874 6.43573 13.0631 10.5529 8.81551 numMergedOcc 0
67 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 15.3001 8.85576 7.81386 numMergedOcc 0
68 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 17.347 13.2049 8.03334 numMergedOcc 0
69 mol 181 unq 2 iso 0 dist 7.15963 6.73556 5.98885 11.5431 10.1912 9.09537 numMergedOcc 0
70 mol 181 unq 3 iso 0 dist 6.43406 10.9813 7.81386 13.9818 8.85576 7.63312 numMergedOcc 0
71 mol 181 unq 4 iso 0 dist 8.80581 10.209 7.63312 14.9028 8.85576 7.81386 numMergedOcc 0
72 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 9.74252 5.76246 7.00794 numMergedOcc 0
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74 mol 205 unq 1 iso 0 dist 6.04106 12.9245 7.26832 19.8591 13.8543 7.80463 numMergedOcc 0
75 mol 206 unq 0 iso 0 dist 7.94694 5.1071 7.7366 7.51923 5.63422 9.774 numMergedOcc 0
76 mol 206 unq 1 iso 0 dist 7.51923 5.1071 9.774 7.94694 5.63422 7.7366 numMergedOcc 0
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78 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 14.3448 11.5372 5.78342 numMergedOcc 0
79 mol 224 unq 2 iso 0 dist 8.47457 8.1404 6.60589 12.3857 5.0744 6.57273 numMergedOcc 0
80 mol 224 unq 3 iso 0 dist 8.47457 15.1783 9.16166 12.3857 5.0744 5.78342 numMergedOcc 0
81 mol 224 unq 4 iso 0 dist 8.47457 15.1783 9.16166 14.6947 6.91102 5.81334 numMergedOcc 0
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84 mol 234 unq 1 iso 0 dist 7.17032 5.44278 6.56247 12.069 7.82322 9.36357 numMergedOcc 0
85 mol 234 unq 2 iso 0 dist 7.17032 9.25445 9.45496 12.069 7.82322 6.7625 numMergedOcc 0
86 mol 234 unq 3 iso 0 dist 6.15754 12.4455 6.56247 8.9413 5.88703 9.45496 numMergedOcc 0
87 mol 234 unq 4 iso 0 dist 6.15754 14.0876 9.36357 8.9413 5.88703 6.7625 numMergedOcc 0
88 mol 234 unq 5 iso 0 dist 6.6281 10.0624 6.56247 11.5469 5.88703 9.45496 numMergedOcc 0
89 mol 234 unq 6 iso 0 dist 6.6281 13.9869 9.36357 11.5469 5.88703 6.7625 numMergedOcc 0
90 mol 234 unq 7 iso 0 dist 8.9413 12.4455 9.45496 6.15754 5.88703 6.56247 numMergedOcc 0
91 mol 234 unq 8 iso 0 dist 8.9413 14.0876 6.7625 6.15754 5.88703 9.36357 numMergedOcc 0
92 mol 234 unq 9 iso 0 dist 4.91961 11.5103 9.45496 10.2233 5.88703 6.56247 numMergedOcc 0
93 mol 234 unq 10 iso 0 dist 4.91961 4.98993 6.7625 10.2233 5.88703 9.36357 numMergedOcc 0
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95 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 numMergedOcc 0
96 mol 236 unq 2 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 numMergedOcc 0
97 mol 258 unq 0 iso 0 dist 5.31858 6.60345 6.42289 11.1218 7.26417 6.60405 numMergedOcc 0
98 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 numMergedOcc 0
99 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 5.29682 4.69778 8.13497 numMergedOcc 0
100 mol 261 unq 0 iso 0 dist 6.85589 4.31412 8.43057 10.2299 10.0727 8.02547 numMergedOcc 0
101 mol 261 unq 1 iso 0 dist 6.85589 4.31412 8.43057 6.68878 4.63549 6.05727 numMergedOcc 0
102 mol 261 unq 2 iso 0 dist 6.68878 4.31412 6.05727 10.2299 5.51688 8.02547 numMergedOcc 0
103 mol 261 unq 3 iso 0 dist 6.68878 4.31412 6.05727 6.85589 4.63549 8.43057 numMergedOcc 0
104 mol 280 unq 0 iso 0 dist 9.0021 12.6862 6.53701 14.0039 5.51836 6.0664 numMergedOcc 0
105 mol 282 unq 0 iso 0 dist 7.34596 4.36798 8.76532 10.5849 10.0156 8.04483 numMergedOcc 0
106 mol 282 unq 1 iso 0 dist 7.34596 4.36798 8.76532 7.12228 4.66602 6.33524 numMergedOcc 0
107 mol 282 unq 2 iso 0 dist 7.12228 4.36798 6.33524 10.5849 5.39891 8.04483 numMergedOcc 0
108 mol 282 unq 3 iso 0 dist 7.12228 4.36798 6.33524 7.34596 4.66602 8.76532 numMergedOcc 0
