ATOM 20
1 C2x C 29.7500 -19.7400
2 C8y C 28.9100 -18.6200
3 C8y C 29.2600 -17.2900
4 C1y C 30.5200 -16.7300
5 C2x C 31.1500 -19.7400
6 C8y C 31.7100 -17.2900
7 C8y C 32.0600 -18.6900
8 C8x C 28.2100 -16.3100
9 C8x C 26.8800 -16.7300
10 C8x C 26.5300 -18.0600
11 C8x C 27.5800 -19.0400
12 C8x C 33.3900 -19.1100
13 C8x C 34.3700 -18.2000
14 C8x C 34.0900 -16.8000
15 C8x C 32.7600 -16.3800
16 C1b C 30.5200 -15.3300
17 C1b C 31.7100 -14.6300
18 C1b C 32.9000 -15.3300
19 N1b N 34.1600 -14.5600
20 C1a C 35.3500 -15.3300
BOND 22
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 6 15 2
18 4 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
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