 ATOM 16
1 C8x C 23.7381 -21.2234
2 C8x C 23.7381 -19.8849
3 C8x C 24.8758 -19.2156
4 C8y C 26.0805 -19.8849
5 C8y C 26.0805 -21.2234
6 C8x C 24.8758 -21.8926
7 C2y C 28.3559 -19.8849
8 C1z C 28.3559 -21.2234
9 C5x C 27.2182 -21.8926
10 C2x C 29.5606 -19.2156
11 C2x C 30.6983 -19.8849
12 C2x C 30.6983 -21.2234
13 C1y C 29.5606 -21.8926
14 O5x O 27.2182 -23.2311
15 O1a O 28.3559 -22.6234
16 O1a O 29.5783 -23.7295
BOND 18
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 7 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 8 13 1
16 9 14 2
17 8 15 1 #Up
18 13 16 1 #Up
|