ATOM 22
1 C8y C 27.3700 -20.9300
2 C2y C 28.6300 -20.1600
3 C8y C 27.3700 -22.3300
4 C8x C 26.1800 -20.2300
5 C5a C 28.6300 -18.8300
6 N2x N 29.8200 -20.8600
7 C8x C 26.1800 -23.0300
8 C1x C 28.6300 -22.9600
9 C8y C 24.9900 -20.9300
10 C8y C 29.8200 -18.1300
11 O5a O 27.3700 -18.1300
12 C1x C 29.8200 -22.2600
13 C8y C 24.9900 -22.3300
14 O1a O 23.7300 -20.2300
15 C8x C 29.8200 -16.7300
16 C8x C 31.0100 -18.8300
17 O2a O 23.7300 -23.0300
18 C8x C 31.0100 -16.0300
19 C8x C 32.2000 -18.1300
20 C1a C 22.5400 -22.3300
21 C8y C 32.2000 -16.7300
22 O1a O 33.4600 -16.0300
BOND 24
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 2
13 9 14 1
14 10 15 2
15 10 16 1
16 13 17 1
17 15 18 1
18 16 19 2
19 17 20 1
20 18 21 2
21 21 22 1
22 8 12 1
23 9 13 1
24 19 21 1
|