ATOM 20
1 C8y C 30.9400 -12.4600
2 O2b O 32.1300 -11.7600
3 C1b C 34.5800 -10.3600
4 C1a C 33.3900 -9.6600
5 P1a P 33.3200 -12.4600
6 O2b O 33.3200 -13.8600
7 C1b C 34.5100 -14.5600
8 C1a C 35.7700 -13.8600
9 O2b O 34.5800 -11.7600
10 S0 S 32.1300 -13.1600
11 C8x C 26.7400 -14.3500
12 C8x C 25.3400 -14.3500
13 C8x C 24.6400 -13.0900
14 C8x C 25.3400 -11.9000
15 C8x C 26.7400 -11.9000
16 C8y C 27.4400 -13.1600
17 C8y C 28.8400 -13.1600
18 C8x C 29.6800 -12.0400
19 N5x N 30.9400 -13.8600
20 O2x O 29.6100 -14.2800
BOND 21
1 2 1 1
2 2 5 1
3 9 3 1
4 3 4 1
5 5 6 1
6 6 7 1
7 7 8 1
8 9 5 1
9 5 10 2
10 11 12 2
11 12 13 1
12 13 14 2
13 14 15 1
14 15 16 2
15 11 16 1
16 16 17 1
17 17 18 2
18 18 1 1
19 1 19 2
20 19 20 1
21 17 20 1
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