ATOM 28
1 C8x C 20.3230 -18.5769
2 C8y C 20.9516 -17.3897
3 C8x C 21.0214 -19.7642
4 C8y C 22.4182 -19.7642
5 C8x C 23.0467 -18.5769
6 C8x C 22.3483 -17.3897
7 O2a O 23.1166 -20.9514
8 C1a C 24.5133 -20.9514
9 C8x C 14.3868 -15.2945
10 C8y C 14.3868 -16.7611
11 C8x C 15.5740 -17.4595
12 C8y C 16.9010 -16.7611
13 C8y C 16.9010 -15.2945
14 C8x C 15.5740 -14.5962
15 N5x N 18.2279 -17.1802
16 C8y C 18.9961 -16.0628
17 N4y N 18.2279 -14.8755
18 C1b C 20.1834 -13.4089
19 C1b C 18.7866 -13.5486
20 N1c N 20.7421 -12.1518
21 C1b C 19.9040 -11.0344
22 C1b C 22.1388 -12.0121
23 C1a C 22.6975 -10.7551
24 C1a C 20.4627 -9.7773
25 C1b C 20.3929 -16.0628
26 O3a O 12.0123 -16.7611 #-
27 N2b N 13.1996 -17.4595 #+
28 O3a O 13.1996 -18.8563
BOND 30
1 1 2 2
2 1 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 2 6 1
7 4 7 1
8 7 8 1
9 9 10 2
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 9 14 1
15 12 15 1
16 15 16 2
17 13 17 1
18 18 19 1
19 17 19 1
20 18 20 1
21 20 21 1
22 20 22 1
23 22 23 1
24 21 24 1
25 16 17 1
26 16 25 1
27 2 25 1
28 26 27 1
29 10 27 1
30 27 28 2
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