ATOM 19
1 C8y C 20.5100 -27.5100
2 C8y C 20.5100 -28.9100
3 C8y C 21.7224 -29.6100
4 C8y C 22.9349 -28.9100
5 C8y C 22.9349 -27.5100
6 C8x C 21.7224 -26.8100
7 C8x C 19.2976 -26.8100
8 C8y C 18.0851 -27.5100
9 C8x C 18.0851 -28.9100
10 C8y C 19.2976 -29.6100
11 C8y C 24.1473 -29.6100
12 C8x C 25.3597 -28.9100
13 C8y C 25.3597 -27.5100
14 O2x O 24.1473 -26.8100
15 O5x O 24.1473 -31.0100
16 C1a C 26.5573 -26.8185
17 O1a O 16.8540 -26.7990
18 O1a O 19.2976 -31.0098
19 O1a O 21.7224 -31.0098
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 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 4 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 5 14 1
17 11 15 2
18 13 16 1
19 8 17 1
20 10 18 1
21 3 19 1
|