ATOM 46
1 C8y C 19.0369 -18.0842
2 C8y C 17.6804 -18.5056
3 C8y C 19.8619 -19.2360
4 C1x C 19.6067 -16.7949
5 C8y C 17.6835 -19.9252
6 C8x C 16.4545 -17.8029
7 N4x N 19.0173 -20.3760
8 C1x C 21.0192 -16.7928
9 C8x C 16.4618 -20.6337
10 C8x C 15.2365 -18.5161
11 C8y C 15.2406 -19.9274
12 N1y N 21.8491 -17.8709
13 C1y C 21.2567 -19.2248
14 C1x C 22.0723 -20.3094
15 C1x C 23.2569 -17.8828
16 C1y C 24.0725 -18.8263
17 C1y C 23.4804 -20.3170
18 C1y C 24.2924 -21.2579
19 C1y C 25.6962 -21.2720
20 C1y C 26.2881 -19.8517
21 C1x C 25.4764 -18.8402
22 O2a O 14.0232 -20.6320
23 C7a C 23.7015 -22.5344
24 O7a O 27.6891 -19.8660
25 O6a O 22.3008 -22.5201
26 O7a O 24.5117 -23.6844
27 C7a C 28.2553 -18.4439
28 O2a O 26.5062 -22.2809
29 C1a C 27.9072 -22.2942
30 C1a C 23.9210 -24.9608
31 C1a C 12.8044 -19.9300
32 C2b C 29.6544 -18.3796
33 O6a O 27.4944 -17.3170
34 C2b C 30.3665 -19.6954
35 C8y C 31.7740 -19.7017
36 C8x C 32.4544 -20.9617
37 C8y C 33.8541 -20.8976
38 C8y C 34.5591 -19.6882
39 C8y C 33.8785 -18.4983
40 C8x C 32.4788 -18.4924
41 O2a O 34.5978 -22.1260
42 C1a C 35.9732 -22.0972
43 O2a O 35.9732 -19.6943
44 C1a C 36.6898 -18.4659
45 O2a O 34.5909 -17.2765
46 C1a C 35.9734 -17.2826
BOND 51
1 21 16 1
2 6 10 1
3 11 22 1
4 9 11 1
5 18 23 1 #Up
6 5 7 1
7 20 24 1 #Up
8 8 12 1
9 23 25 2
10 10 11 2
11 23 26 1
12 24 27 1
13 1 2 1
14 1 3 2
15 1 4 1
16 19 28 1 #Down
17 12 13 1
18 28 29 1
19 13 14 1
20 14 17 1
21 16 15 1
22 15 12 1
23 26 30 1
24 2 5 1
25 2 6 2
26 3 7 1
27 3 13 1
28 4 8 1
29 5 9 2
30 16 17 1
31 17 18 1
32 18 19 1
33 19 20 1
34 20 21 1
35 22 31 1
36 27 32 1
37 27 33 2
38 32 34 2
39 34 35 1
40 35 36 2
41 36 37 1
42 37 38 2
43 38 39 1
44 39 40 2
45 35 40 1
46 37 41 1
47 41 42 1
48 38 43 1
49 43 44 1
50 39 45 1
51 45 46 1
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