ATOM 44
1 C8y C 22.0727 -22.4485
2 C1y C 23.2812 -21.7492
3 C8y C 22.0665 -23.8473
4 C8x C 20.8579 -21.7429
5 C1b C 23.2873 -20.3442
6 N1y N 24.4958 -22.4546
7 C8x C 20.8579 -24.5527
8 C1x C 23.2690 -24.5589
9 C8y C 19.6431 -22.4485
10 C8y C 24.5021 -19.6571
11 C1x C 24.4652 -23.8473
12 C1a C 25.7106 -21.7737
13 C8y C 19.6431 -23.8473
14 O1a O 18.4285 -21.7429
15 C8x C 25.7106 -20.3627
16 C8x C 24.5081 -18.2523
17 O2a O 18.4285 -24.5527
18 C8y C 26.9314 -19.6633
19 C8x C 25.7229 -17.5528
20 C1a C 17.2200 -23.8595
21 O2a O 28.1340 -20.3687
22 C8y C 26.9375 -18.2644
23 C8y C 29.3425 -19.6756
24 O1a O 28.1460 -17.5713
25 C8x C 29.3486 -18.2767
26 C8x C 30.5571 -20.3872
27 C8x C 30.5694 -17.5773
28 C8x C 31.7719 -19.6877
29 C8y C 31.7779 -18.2829
30 C1b C 32.9927 -17.5958
31 C1y C 32.9988 -16.1908
32 C8y C 34.2073 -15.4915
33 N1y N 31.7902 -15.4854
34 C8y C 34.2135 -14.0927
35 C8x C 35.4221 -16.1971
36 C1x C 31.8148 -14.0927
37 C1a C 30.5694 -16.1663
38 C8x C 35.4221 -13.3873
39 C1x C 33.0110 -13.3811
40 C8y C 36.6369 -15.4915
41 C8y C 36.6369 -14.0927
42 O1a O 37.8515 -16.1971
43 O2a O 37.8515 -13.3873
44 C1a C 39.0600 -14.0805
BOND 49
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 1
12 7 13 1
13 9 14 1
14 10 15 2
15 10 16 1
16 13 17 1
17 15 18 1
18 16 19 2
19 17 20 1
20 18 21 1
21 18 22 2
22 21 23 1
23 22 24 1
24 23 25 2
25 23 26 1
26 25 27 1
27 26 28 2
28 27 29 2
29 29 30 1
30 30 31 1
31 31 32 1
32 31 33 1
33 32 34 1
34 32 35 2
35 33 36 1
36 33 37 1
37 34 38 2
38 34 39 1
39 35 40 1
40 38 41 1
41 40 42 1
42 41 43 1
43 43 44 1
44 8 11 1
45 9 13 2
46 19 22 1
47 28 29 1
48 36 39 1
49 40 41 2
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