0 mol 93 unq 0 iso 0 dist 9.81831 16.1023 7.8435 13.1721 5.99269 5.21654 21.9971 12.5638 6.67678 10.4903 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 9.81831 16.1023 7.8435 13.1721 5.99269 5.21654 21.7795 12.4215 7.24956 11.5899 numMergedOcc 0
2 mol 93 unq 2 iso 0 dist 9.81831 16.1023 7.8435 13.1721 5.99269 5.21654 14.4051 5.99863 8.28591 5.35008 numMergedOcc 0
3 mol 93 unq 3 iso 0 dist 9.81831 16.1023 7.8435 13.1721 5.99269 5.21654 15.275 6.15015 9.40687 8.84576 numMergedOcc 0
4 mol 93 unq 4 iso 0 dist 9.81831 16.1023 7.8435 9.34182 5.71763 13.3531 21.9971 12.5638 6.67678 17.0013 numMergedOcc 0
5 mol 93 unq 5 iso 0 dist 9.81831 16.1023 7.8435 9.34182 5.71763 13.3531 21.7795 12.4215 7.24956 16.7505 numMergedOcc 0
6 mol 93 unq 6 iso 0 dist 9.81831 16.1023 7.8435 9.34182 5.71763 13.3531 14.4051 5.99863 8.28591 8.30921 numMergedOcc 0
7 mol 93 unq 7 iso 0 dist 9.81831 16.1023 7.8435 9.34182 5.71763 13.3531 15.275 6.15015 9.40687 7.39732 numMergedOcc 0
8 mol 93 unq 8 iso 0 dist 9.81831 13.1721 5.99269 16.1023 7.8435 5.21654 14.4051 5.99863 5.35008 8.28591 numMergedOcc 0
9 mol 93 unq 9 iso 0 dist 9.81831 13.1721 5.99269 16.1023 7.8435 5.21654 15.275 6.15015 8.84576 9.40687 numMergedOcc 0
10 mol 93 unq 10 iso 0 dist 9.81831 13.1721 5.99269 9.34182 5.71763 10.7398 14.4051 5.99863 5.35008 8.30921 numMergedOcc 0
11 mol 93 unq 11 iso 0 dist 9.81831 13.1721 5.99269 9.34182 5.71763 10.7398 15.275 6.15015 8.84576 7.39732 numMergedOcc 0
12 mol 93 unq 12 iso 0 dist 9.81831 9.34182 5.71763 16.1023 7.8435 13.3531 14.4051 5.99863 8.30921 8.28591 numMergedOcc 0
13 mol 93 unq 13 iso 0 dist 9.81831 9.34182 5.71763 16.1023 7.8435 13.3531 15.275 6.15015 7.39732 9.40687 numMergedOcc 0
14 mol 93 unq 14 iso 0 dist 9.81831 9.34182 5.71763 16.1023 7.8435 13.3531 18.8402 10.9803 9.67744 14.4367 numMergedOcc 0
15 mol 93 unq 15 iso 0 dist 9.81831 9.34182 5.71763 13.1721 5.99269 10.7398 14.4051 5.99863 8.30921 5.35008 numMergedOcc 0
16 mol 93 unq 16 iso 0 dist 9.81831 9.34182 5.71763 13.1721 5.99269 10.7398 15.275 6.15015 7.39732 8.84576 numMergedOcc 0
17 mol 93 unq 17 iso 0 dist 9.81831 9.34182 5.71763 13.1721 5.99269 10.7398 18.8402 10.9803 9.67744 13.704 numMergedOcc 0
18 mol 93 unq 18 iso 0 dist 9.12858 12.4934 7.8435 11.0537 5.99269 5.21654 18.9177 12.5638 6.67678 10.4903 numMergedOcc 0
19 mol 93 unq 19 iso 0 dist 9.12858 12.4934 7.8435 11.0537 5.99269 5.21654 18.5963 12.4215 7.24956 11.5899 numMergedOcc 0
20 mol 93 unq 20 iso 0 dist 9.12858 12.4934 7.8435 11.0537 5.99269 5.21654 14.2439 5.99863 8.28591 5.35008 numMergedOcc 0
21 mol 93 unq 21 iso 0 dist 9.12858 12.4934 7.8435 11.0537 5.99269 5.21654 15.2216 6.15015 9.40687 8.84576 numMergedOcc 0
22 mol 93 unq 22 iso 0 dist 9.12858 12.4934 7.8435 12.0103 5.71763 13.3531 18.9177 12.5638 6.67678 17.0013 numMergedOcc 0
23 mol 93 unq 23 iso 0 dist 9.12858 12.4934 7.8435 12.0103 5.71763 13.3531 18.5963 12.4215 7.24956 16.7505 numMergedOcc 0
24 mol 93 unq 24 iso 0 dist 9.12858 12.4934 7.8435 12.0103 5.71763 13.3531 14.2439 5.99863 8.28591 8.30921 numMergedOcc 0
25 mol 93 unq 25 iso 0 dist 9.12858 12.4934 7.8435 12.0103 5.71763 13.3531 15.2216 6.15015 9.40687 7.39732 numMergedOcc 0
26 mol 93 unq 26 iso 0 dist 9.12858 11.0537 5.99269 12.4934 7.8435 5.21654 14.2439 5.99863 5.35008 8.28591 numMergedOcc 0
27 mol 93 unq 27 iso 0 dist 9.12858 11.0537 5.99269 12.4934 7.8435 5.21654 15.2216 6.15015 8.84576 9.40687 numMergedOcc 0
28 mol 93 unq 28 iso 0 dist 9.12858 11.0537 5.99269 12.0103 5.71763 10.7398 14.2439 5.99863 5.35008 8.30921 numMergedOcc 0
29 mol 93 unq 29 iso 0 dist 9.12858 11.0537 5.99269 12.0103 5.71763 10.7398 15.2216 6.15015 8.84576 7.39732 numMergedOcc 0
30 mol 93 unq 30 iso 0 dist 9.12858 12.0103 5.71763 12.4934 7.8435 13.3531 14.2439 5.99863 8.30921 8.28591 numMergedOcc 0
31 mol 93 unq 31 iso 0 dist 9.12858 12.0103 5.71763 12.4934 7.8435 13.3531 15.2216 6.15015 7.39732 9.40687 numMergedOcc 0
32 mol 93 unq 32 iso 0 dist 9.12858 12.0103 5.71763 12.4934 7.8435 13.3531 19.9253 10.9803 9.67744 14.4367 numMergedOcc 0
33 mol 93 unq 33 iso 0 dist 9.12858 12.0103 5.71763 11.0537 5.99269 10.7398 14.2439 5.99863 8.30921 5.35008 numMergedOcc 0
34 mol 93 unq 34 iso 0 dist 9.12858 12.0103 5.71763 11.0537 5.99269 10.7398 15.2216 6.15015 7.39732 8.84576 numMergedOcc 0
35 mol 93 unq 35 iso 0 dist 9.12858 12.0103 5.71763 11.0537 5.99269 10.7398 19.9253 10.9803 9.67744 13.704 numMergedOcc 0
36 mol 93 unq 36 iso 0 dist 9.4523 10.8106 7.8435 7.14217 5.99269 5.21654 17.12 12.5638 6.67678 10.4903 numMergedOcc 0
37 mol 93 unq 37 iso 0 dist 9.4523 10.8106 7.8435 7.14217 5.99269 5.21654 17.9688 12.4215 7.24956 11.5899 numMergedOcc 0
38 mol 93 unq 38 iso 0 dist 9.4523 10.8106 7.8435 7.14217 5.99269 5.21654 11.2863 5.99863 8.28591 5.35008 numMergedOcc 0
39 mol 93 unq 39 iso 0 dist 9.4523 10.8106 7.8435 7.14217 5.99269 5.21654 14.6786 6.15015 9.40687 8.84576 numMergedOcc 0
40 mol 93 unq 40 iso 0 dist 9.4523 10.8106 7.8435 12.9351 5.71763 13.3531 17.12 12.5638 6.67678 17.0013 numMergedOcc 0
41 mol 93 unq 41 iso 0 dist 9.4523 10.8106 7.8435 12.9351 5.71763 13.3531 17.9688 12.4215 7.24956 16.7505 numMergedOcc 0
42 mol 93 unq 42 iso 0 dist 9.4523 10.8106 7.8435 12.9351 5.71763 13.3531 11.2863 5.99863 8.28591 8.30921 numMergedOcc 0
43 mol 93 unq 43 iso 0 dist 9.4523 10.8106 7.8435 12.9351 5.71763 13.3531 14.6786 6.15015 9.40687 7.39732 numMergedOcc 0
44 mol 93 unq 44 iso 0 dist 9.4523 7.14217 5.99269 10.8106 7.8435 5.21654 11.2863 5.99863 5.35008 8.28591 numMergedOcc 0
45 mol 93 unq 45 iso 0 dist 9.4523 7.14217 5.99269 10.8106 7.8435 5.21654 14.6786 6.15015 8.84576 9.40687 numMergedOcc 0
46 mol 93 unq 46 iso 0 dist 9.4523 7.14217 5.99269 12.9351 5.71763 10.7398 11.2863 5.99863 5.35008 8.30921 numMergedOcc 0
47 mol 93 unq 47 iso 0 dist 9.4523 7.14217 5.99269 12.9351 5.71763 10.7398 14.6786 6.15015 8.84576 7.39732 numMergedOcc 0
48 mol 93 unq 48 iso 0 dist 9.4523 12.9351 5.71763 10.8106 7.8435 13.3531 11.2863 5.99863 8.30921 8.28591 numMergedOcc 0
49 mol 93 unq 49 iso 0 dist 9.4523 12.9351 5.71763 10.8106 7.8435 13.3531 14.6786 6.15015 7.39732 9.40687 numMergedOcc 0
50 mol 93 unq 50 iso 0 dist 9.4523 12.9351 5.71763 10.8106 7.8435 13.3531 19.377 10.9803 9.67744 14.4367 numMergedOcc 0
51 mol 93 unq 51 iso 0 dist 9.4523 12.9351 5.71763 7.14217 5.99269 10.7398 11.2863 5.99863 8.30921 5.35008 numMergedOcc 0
52 mol 93 unq 52 iso 0 dist 9.4523 12.9351 5.71763 7.14217 5.99269 10.7398 14.6786 6.15015 7.39732 8.84576 numMergedOcc 0
53 mol 93 unq 53 iso 0 dist 9.4523 12.9351 5.71763 7.14217 5.99269 10.7398 19.377 10.9803 9.67744 13.704 numMergedOcc 0
54 mol 112 unq 0 iso 0 dist 6.43433 6.95317 4.99604 10.5563 5.43933 6.86881 6.87434 4.25001 5.92828 9.24706 numMergedOcc 0
55 mol 112 unq 1 iso 0 dist 6.43433 6.95317 4.99604 13.5094 9.97483 10.8861 6.87434 4.25001 5.92828 14.0864 numMergedOcc 0
56 mol 112 unq 2 iso 0 dist 6.43433 6.95317 4.99604 6.75738 7.44041 10.5905 6.87434 4.25001 5.92828 10.3476 numMergedOcc 0
57 mol 112 unq 3 iso 0 dist 9.92283 10.9279 4.99604 12.6108 5.43933 6.86881 11.5809 4.25001 5.92828 9.24706 numMergedOcc 0
58 mol 112 unq 4 iso 0 dist 9.92283 10.9279 4.99604 13.764 9.97483 10.8861 11.5809 4.25001 5.92828 14.0864 numMergedOcc 0
59 mol 112 unq 5 iso 0 dist 9.92283 10.9279 4.99604 5.43385 7.44041 10.5905 11.5809 4.25001 5.92828 10.3476 numMergedOcc 0
60 mol 119 unq 0 iso 0 dist 7.77116 6.9194 9.6121 9.68677 9.57341 12.7135 10.1864 10.7475 4.55071 12.3503 numMergedOcc 0
61 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 10.092 6.99345 6.05407 18.4634 12.7348 4.94473 10.725 numMergedOcc 0
62 mol 134 unq 1 iso 0 dist 7.36779 14.2036 8.48313 4.46337 5.11043 10.5379 18.4634 12.7348 4.94473 15.1841 numMergedOcc 0
63 mol 134 unq 2 iso 0 dist 8.20836 16.4114 8.48313 12.8086 6.99345 6.05407 20.8896 12.7348 4.94473 10.725 numMergedOcc 0
64 mol 134 unq 3 iso 0 dist 8.20836 16.4114 8.48313 7.41373 5.11043 10.5379 20.8896 12.7348 4.94473 15.1841 numMergedOcc 0
65 mol 186 unq 0 iso 0 dist 9.83476 13.6744 7.04815 15.0914 6.07389 6.05141 11.8448 6.50208 6.94594 9.89544 numMergedOcc 0
66 mol 186 unq 1 iso 0 dist 9.83476 13.6744 7.04815 15.0914 6.07389 6.05141 10.0218 6.3786 5.81881 9.84648 numMergedOcc 0
67 mol 186 unq 2 iso 0 dist 9.83476 15.0914 6.07389 13.6744 7.04815 6.05141 15.2176 8.54557 9.4366 14.2971 numMergedOcc 0
68 mol 194 unq 0 iso 0 dist 6.26839 10.0756 5.53324 11.8031 6.72182 9.10229 9.52922 7.82899 4.45769 12.9621 numMergedOcc 0
69 mol 194 unq 1 iso 0 dist 6.26839 10.0756 5.53324 11.8031 6.72182 9.10229 11.7672 10.0237 5.89939 13.7206 numMergedOcc 0
70 mol 194 unq 2 iso 0 dist 8.12346 10.2793 5.53324 9.09233 6.72182 9.10229 11.2599 7.82899 4.45769 12.9621 numMergedOcc 0
71 mol 194 unq 3 iso 0 dist 8.12346 10.2793 5.53324 9.09233 6.72182 9.10229 11.0369 10.0237 5.89939 13.7206 numMergedOcc 0
72 mol 194 unq 4 iso 0 dist 8.83356 10.463 5.53324 4.66791 6.72182 9.10229 14.7152 7.82899 4.45769 12.9621 numMergedOcc 0
73 mol 194 unq 5 iso 0 dist 8.83356 10.463 5.53324 4.66791 6.72182 9.10229 15.9798 10.0237 5.89939 13.7206 numMergedOcc 0
74 mol 194 unq 6 iso 0 dist 8.2654 12.8494 5.53324 7.73551 6.72182 9.10229 14.7929 7.82899 4.45769 12.9621 numMergedOcc 0
75 mol 194 unq 7 iso 0 dist 8.2654 12.8494 5.53324 7.73551 6.72182 9.10229 15.7836 10.0237 5.89939 13.7206 numMergedOcc 0
76 mol 222 unq 0 iso 0 dist 9.2581 9.01393 7.97027 6.25425 6.81955 11.4035 16.7372 9.06039 9.79673 15.4522 numMergedOcc 0
77 mol 222 unq 1 iso 0 dist 9.2581 9.01393 7.97027 6.25425 6.81955 11.4035 10.3894 3.98816 6.39673 10.0681 numMergedOcc 0
78 mol 222 unq 2 iso 0 dist 9.2581 9.01393 7.97027 5.64455 4.9876 8.10209 16.7372 9.06039 9.79673 12.7094 numMergedOcc 0
79 mol 222 unq 3 iso 0 dist 9.2581 9.01393 7.97027 5.64455 4.9876 8.10209 10.3894 3.98816 6.39673 7.80676 numMergedOcc 0
80 mol 222 unq 4 iso 0 dist 9.2581 5.64455 4.9876 9.01393 7.97027 8.10209 10.3894 3.98816 7.80676 6.39673 numMergedOcc 0
81 mol 222 unq 5 iso 0 dist 9.2581 5.64455 4.9876 6.25425 6.81955 3.52491 10.3894 3.98816 7.80676 10.0681 numMergedOcc 0
82 mol 222 unq 6 iso 0 dist 9.62632 13.3586 7.97027 5.16212 6.81955 11.4035 16.4436 9.06039 9.79673 15.4522 numMergedOcc 0
83 mol 222 unq 7 iso 0 dist 9.62632 13.3586 7.97027 5.16212 6.81955 11.4035 13.2354 3.98816 6.39673 10.0681 numMergedOcc 0
84 mol 222 unq 8 iso 0 dist 9.62632 13.3586 7.97027 5.9478 4.9876 8.10209 16.4436 9.06039 9.79673 12.7094 numMergedOcc 0
85 mol 222 unq 9 iso 0 dist 9.62632 13.3586 7.97027 5.9478 4.9876 8.10209 13.2354 3.98816 6.39673 7.80676 numMergedOcc 0
86 mol 222 unq 10 iso 0 dist 9.62632 5.9478 4.9876 13.3586 7.97027 8.10209 13.2354 3.98816 7.80676 6.39673 numMergedOcc 0
87 mol 222 unq 11 iso 0 dist 9.62632 5.9478 4.9876 5.16212 6.81955 3.52491 13.2354 3.98816 7.80676 10.0681 numMergedOcc 0
88 mol 222 unq 12 iso 0 dist 7.862 8.84507 7.97027 8.67203 6.81955 11.4035 11.04 9.06039 9.79673 15.4522 numMergedOcc 0
89 mol 222 unq 13 iso 0 dist 7.862 8.84507 7.97027 8.67203 6.81955 11.4035 10.2446 3.98816 6.39673 10.0681 numMergedOcc 0
90 mol 222 unq 14 iso 0 dist 7.862 8.84507 7.97027 6.02502 4.9876 8.10209 11.04 9.06039 9.79673 12.7094 numMergedOcc 0
91 mol 222 unq 15 iso 0 dist 7.862 8.84507 7.97027 6.02502 4.9876 8.10209 10.2446 3.98816 6.39673 7.80676 numMergedOcc 0
92 mol 222 unq 16 iso 0 dist 7.862 6.02502 4.9876 8.84507 7.97027 8.10209 10.2446 3.98816 7.80676 6.39673 numMergedOcc 0
93 mol 222 unq 17 iso 0 dist 7.862 6.02502 4.9876 8.67203 6.81955 3.52491 10.2446 3.98816 7.80676 10.0681 numMergedOcc 0
94 mol 225 unq 0 iso 0 dist 8.87609 17.3148 9.87668 13.3773 8.42121 8.05944 22.7648 13.9338 8.74463 13.862 numMergedOcc 0
95 mol 225 unq 1 iso 0 dist 8.87609 17.3148 9.87668 3.97158 7.8744 16.7885 22.7648 13.9338 8.74463 21.4681 numMergedOcc 0
96 mol 225 unq 2 iso 0 dist 8.87609 17.3148 9.87668 9.9875 4.98402 13.7858 22.7648 13.9338 8.74463 15.4089 numMergedOcc 0
97 mol 264 unq 0 iso 0 dist 7.52281 5.71153 6.02757 6.87635 8.67231 5.23295 14.7806 8.89888 9.87744 12.9889 numMergedOcc 0
98 mol 264 unq 1 iso 0 dist 6.42588 6.56539 6.02757 4.76241 8.67231 5.23295 10.4401 8.89888 9.87744 12.9889 numMergedOcc 0
99 mol 278 unq 0 iso 0 dist 7.67245 10.0918 7.59696 13.5923 8.63072 5.75667 5.35705 5.78276 7.56691 11.7969 numMergedOcc 0
100 mol 278 unq 1 iso 0 dist 9.12395 6.48173 7.59696 10.9571 8.63072 5.75667 6.64378 5.78276 7.56691 11.7969 numMergedOcc 0
101 mol 279 unq 0 iso 0 dist 8.29305 6.5644 5.8304 8.70069 7.37478 11.3734 10.6394 7.93548 4.98693 14.0284 numMergedOcc 0
102 mol 279 unq 1 iso 0 dist 6.43341 9.40912 5.8304 4.14939 7.37478 11.3734 13.2372 7.93548 4.98693 14.0284 numMergedOcc 0
