ATOM 39
1 C8x C 31.9004 -21.9556
2 C8x C 31.9004 -20.5870
3 C8y C 33.0848 -19.8955
4 C8y C 34.2622 -20.5870
5 C8x C 34.2622 -21.9556
6 C8x C 33.0848 -22.6326
7 C8x C 29.5573 -16.8620
8 C8y C 29.5573 -15.4935
9 C8x C 30.7418 -14.8089
10 C8x C 30.7418 -17.5462
11 C8y C 31.9262 -16.8620
12 C8y C 31.9202 -15.4935
13 O2x O 33.0987 -14.8037
14 C8y C 33.1107 -17.5410
15 C8y C 34.2893 -16.8517
16 C8y C 34.2766 -15.4867
17 C8x C 35.4557 -14.7932
18 C8y C 36.6474 -15.4648
19 C8x C 36.6601 -16.8299
20 C8x C 35.4809 -17.5230
21 C7a C 35.4412 -19.8955
22 O7a O 36.6264 -20.5941
23 C1a C 37.8114 -19.9026
24 N2a N 37.8256 -14.7806 #+
25 N1b N 28.3582 -14.8159
26 O6a O 35.4342 -18.5267
27 C5a C 27.1549 -15.5255
28 C8y C 25.8688 -14.8382
29 O5a O 27.1679 -16.9223
30 C8y C 25.9265 -13.4425
31 C8y C 24.7103 -12.7553
32 C8y C 23.5071 -13.4649
33 C8x C 23.5200 -14.8616
34 C8x C 24.7362 -15.5488
35 O1a O 27.1298 -12.7331
36 X I 24.6974 -11.3584
37 N2b N 22.2913 -12.7775
38 N0 N 20.7936 -13.6174 #+
39 N2a N 19.3763 -14.3899 #-
BOND 43
1 4 21 1
2 11 10 1
3 21 22 1
4 10 7 2
5 22 23 1
6 3 4 1
7 4 5 2
8 5 6 1
9 18 24 2
10 6 1 2
11 11 12 2
12 12 13 1
13 8 25 1
14 13 16 1
15 15 14 2
16 14 11 1
17 21 26 2
18 25 27 1
19 1 2 1
20 27 28 1
21 2 3 2
22 27 29 2
23 7 8 1
24 8 9 2
25 15 16 1
26 16 17 2
27 17 18 1
28 28 30 2
29 30 31 1
30 31 32 2
31 32 33 1
32 33 34 2
33 34 28 1
34 18 19 1
35 30 35 1
36 19 20 2
37 31 36 1
38 20 15 1
39 32 37 1
40 14 3 1
41 9 12 1
42 37 38 2
43 38 39 2
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