ATOM 28
1 C8x C 21.7000 -18.0600
2 C8x C 20.5100 -18.7600
3 C8x C 20.5100 -20.1600
4 C8x C 21.7000 -20.8600
5 O2x O 24.2200 -18.3400
6 C8y C 22.8900 -18.7600
7 C8y C 22.8900 -20.1600
8 N5x N 24.2200 -20.6500
9 C8y C 25.0600 -19.5300
10 C8y C 26.4600 -19.5300
11 C8y C 27.1600 -20.7200
12 C8x C 28.5600 -20.7200
13 C8x C 29.2600 -19.5300
14 C8y C 28.5600 -18.2700
15 C8x C 27.1600 -18.2700
16 O1a O 26.3900 -21.9100
17 N1b N 29.8200 -17.5000
18 C5a C 31.2200 -18.3400
19 O5a O 31.2200 -19.7400
20 C1b C 32.4800 -17.6400
21 O2a O 33.6700 -18.4100
22 C8y C 34.9300 -17.7100
23 C8x C 34.9300 -16.3100
24 C8x C 36.1200 -15.6100
25 C8y C 37.3100 -16.3800
26 C8x C 37.3100 -17.7800
27 C8x C 36.0500 -18.4100
28 C1a C 38.5700 -15.6800
BOND 31
1 11 12 1
2 12 13 2
3 13 14 1
4 14 15 2
5 15 10 1
6 4 7 1
7 11 16 1
8 5 6 1
9 14 17 1
10 7 8 1
11 17 18 1
12 8 9 2
13 18 19 2
14 9 5 1
15 18 20 1
16 6 1 1
17 20 21 1
18 9 10 1
19 21 22 1
20 6 7 2
21 1 2 2
22 2 3 1
23 3 4 2
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 27 22 1
30 10 11 2
31 25 28 1
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