ATOM 25
1 C1y C 33.0400 -20.3700
2 C1b C 31.8500 -19.6700
3 C8y C 30.6600 -20.3700
4 C8x C 29.4000 -19.6700
5 C8x C 30.6600 -21.7700
6 C8x C 28.2100 -20.3700
7 C8x C 29.4000 -22.4700
8 C8y C 28.2100 -21.7700
9 O2a O 27.0200 -22.4700
10 C1b C 25.6900 -21.7700
11 C1b C 24.5700 -22.4700
12 C8y C 23.3800 -21.7700
13 C8x C 23.3800 -20.3700
14 N5x N 22.1900 -22.4700
15 C8x C 22.1900 -19.6700
16 C8x C 20.9300 -21.7700
17 C8y C 20.9300 -20.3700
18 C1b C 19.7400 -19.6700
19 C1a C 18.5500 -20.3700
20 C5x C 33.0400 -21.7700
21 N1x N 34.3700 -22.2600
22 C5x C 35.1400 -21.0700
23 S2x S 34.3700 -19.9500
24 O5x O 36.6100 -21.0700
25 O5x O 31.8500 -22.6100
BOND 27
1 1 2 1
2 2 3 1
3 3 4 2
4 3 5 1
5 4 6 1
6 5 7 2
7 6 8 2
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 2
13 12 14 1
14 13 15 1
15 14 16 2
16 15 17 2
17 17 18 1
18 18 19 1
19 7 8 1
20 16 17 1
21 1 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 1 23 1
26 22 24 2
27 20 25 2
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