ATOM 13
1 C8x C 22.8200 -18.9000
2 C8x C 22.8200 -20.3000
3 C8x C 24.0324 -21.0000
4 C8y C 25.2449 -20.3000
5 C8y C 25.2449 -18.9000
6 C8x C 24.0324 -18.2000
7 N4x N 26.5764 -20.7326
8 C8x C 27.3993 -19.6000
9 C8y C 26.5764 -18.4674
10 C1b C 27.0075 -17.1406
11 C5a C 28.3869 -16.8474
12 O5a O 29.3495 -17.9169
13 N1a N 28.8163 -15.5273
BOND 14
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 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 9 10 1
12 10 11 1
13 11 12 2
14 11 13 1
|