ATOM 28
1 N5x N 32.0600 -16.6600
2 C8y C 32.0600 -18.0600
3 N4x N 33.2500 -18.7600
4 C8x C 34.5100 -18.0600
5 C8y C 34.5100 -16.6600
6 C8y C 33.2500 -15.9600
7 C8y C 36.8900 -16.6600
8 C1b C 35.7000 -15.9600
9 C8x C 36.8900 -18.0600
10 C8x C 38.1500 -18.7600
11 C8y C 39.3400 -18.0600
12 C8y C 39.3400 -16.6600
13 O2x O 40.6700 -18.4800
14 C1x C 41.5100 -17.3600
15 O2x O 40.6700 -16.2400
16 C8x C 38.1500 -15.9600
17 N1b N 30.8700 -18.7600
18 C1b C 29.6100 -18.0600
19 C1b C 28.4200 -18.7600
20 S2a S 27.2300 -18.0600
21 C1b C 25.9700 -18.7600
22 C8y C 24.7800 -18.0600
23 O5x O 33.2500 -14.5600
24 N5x N 24.7800 -16.6600
25 C8x C 23.4500 -16.2400
26 N4x N 22.6100 -17.3600
27 C8y C 23.4500 -18.4800
28 C1a C 23.0300 -19.8100
BOND 31
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 7 8 1
8 5 8 1
9 7 9 2
10 9 10 1
11 11 12 1
12 11 13 1
13 13 14 1
14 14 15 1
15 12 15 1
16 10 11 2
17 12 16 2
18 7 16 1
19 2 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 6 23 2
26 22 24 1
27 24 25 2
28 25 26 1
29 26 27 1
30 22 27 2
31 27 28 1
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