ATOM 16
1 C8x C 25.0137 -19.1875
2 C8y C 25.0059 -20.5873
3 C8x C 26.2171 -21.2942
4 C8x C 27.4292 -20.6012
5 C8y C 27.4371 -19.2014
6 C8x C 26.2332 -18.4946
7 O1a O 23.7899 -21.2809
8 C1d C 28.6540 -18.5095
9 C8y C 29.7918 -19.2171
10 C1a C 27.4329 -17.5942
11 C1a C 29.8580 -17.5873
12 C8x C 29.8488 -20.6104
13 C8x C 31.0563 -21.3182
14 C8x C 32.2733 -20.6262
15 C8x C 32.2823 -19.2263
16 C8x C 31.0745 -18.5187
BOND 17
1 2 3 1
2 8 9 1
3 3 4 2
4 8 10 1
5 4 5 1
6 8 11 1
7 5 6 2
8 6 1 1
9 2 7 1
10 1 2 2
11 9 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 16 9 1
17 5 8 1
|