ATOM 20
1 C8x C 27.0200 -21.2800
2 C8y C 27.0200 -19.8800
3 C8x C 25.8300 -19.1800
4 C8x C 24.5700 -19.8800
5 C8y C 24.5700 -21.2800
6 C8x C 25.8300 -21.9800
7 C3b C 23.3800 -21.9800
8 N3a N 22.1200 -22.6800
9 O2b O 28.2100 -19.1800
10 P1a P 29.6100 -19.1800
11 O2b O 31.0100 -19.1800
12 S0 S 29.6100 -20.5800
13 C8y C 29.6100 -17.7800
14 C8x C 30.8000 -17.0800
15 C8x C 30.8000 -15.6800
16 C8x C 29.6100 -14.9800
17 C8x C 28.4200 -15.6800
18 C8x C 28.4200 -17.0800
19 C1b C 31.7100 -20.3700
20 C1a C 33.1100 -20.3700
BOND 21
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 5 7 1
8 7 8 3
9 2 9 1
10 9 10 1
11 10 11 1
12 10 12 2
13 10 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 11 19 1
21 19 20 1
|