ATOM 12
1 C8y C 20.8251 -17.2582
2 N2b N 20.8251 -18.6557 #+
3 C8x C 22.0129 -16.5595
4 C8x C 19.6372 -16.5595
5 O3a O 19.6372 -19.3544
6 O3a O 22.0129 -19.3544 #-
7 C8y C 22.0129 -15.1622
8 C8x C 19.6372 -15.1622
9 C8y C 20.8251 -14.4635
10 O1a O 20.8251 -13.0662
11 O2a O 23.2258 -14.4684
12 C1a C 24.5654 -15.2377
BOND 12
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 2
8 7 9 2
9 9 10 1
10 8 9 1
11 7 11 1
12 11 12 1
|