ATOM 20
1 C5x C 35.8400 -33.3900
2 N1x N 34.5800 -32.7600
3 C8y C 33.2500 -33.3200
4 C8y C 32.9000 -34.6500
5 C1x C 36.0500 -34.7900
6 C2y C 33.7400 -35.7700
7 N2x N 35.2100 -35.7700
8 N4y N 31.5700 -34.6500
9 N5x N 31.0100 -33.4600
10 C8y C 32.1300 -32.5500
11 C1b C 30.8000 -35.9800
12 C1a C 29.4000 -35.9800
13 C1a C 32.1300 -31.2200
14 O5x O 36.9600 -32.4800
15 C8y C 33.1100 -37.0300
16 C8x C 33.8100 -38.2900
17 C8x C 33.0400 -39.4800
18 C8x C 31.6400 -39.4800
19 C8x C 31.0100 -38.2200
20 C8x C 31.7100 -37.0300
BOND 22
1 3 4 2
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 2
8 4 8 1
9 8 9 1
10 9 10 2
11 3 10 1
12 8 11 1
13 11 12 1
14 10 13 1
15 1 14 2
16 6 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
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