ATOM 19
1 C8y C 25.4100 -19.6700
2 C8y C 26.5300 -20.3700
3 C8y C 24.1500 -20.3700
4 C8x C 25.4100 -18.2700
5 C8x C 27.7200 -19.7400
6 C8x C 26.5300 -21.7700
7 C8y C 22.9600 -19.6700
8 O5x O 24.1500 -21.7700
9 O2x O 24.1500 -17.5700
10 C8x C 28.9100 -20.3700
11 C8x C 27.6500 -22.4700
12 C8y C 22.9600 -18.2700
13 C8x C 21.7000 -20.3700
14 C8y C 28.9100 -21.8400
15 C8x C 21.7000 -17.5700
16 C8x C 20.5100 -19.6700
17 O2a O 30.1000 -22.5400
18 C8x C 20.5100 -18.2700
19 C1a C 31.2900 -21.8400
BOND 21
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 6 11 2
11 7 12 2
12 7 13 1
13 10 14 2
14 12 15 1
15 13 16 2
16 14 17 1
17 15 18 2
18 17 19 1
19 9 12 1
20 11 14 1
21 16 18 1
|