ATOM 17
1 C8x C 23.1700 -21.2800
2 C8x C 23.1700 -19.8800
3 C8x C 24.4300 -19.1800
4 C8y C 25.6200 -19.8800
5 C8x C 25.6200 -21.2800
6 C8x C 24.4300 -21.9800
7 C7a C 26.8100 -19.1800
8 O7a O 28.0700 -19.8800
9 C1d C 29.2600 -19.1800
10 C1b C 30.4500 -19.8800
11 N1c N 31.7100 -19.1800
12 C1a C 32.9000 -19.8800
13 O6a O 26.8100 -17.7800
14 C1b C 28.3500 -18.3400
15 C1a C 30.3100 -18.2000
16 C1a C 31.7100 -17.7800
17 C1a C 28.3500 -17.0800
BOND 17
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 13 2
14 9 14 1
15 9 15 1
16 11 16 1
17 14 17 1
|