ATOM 18
1 C8y C 26.7071 -20.8046
2 C8y C 28.1169 -20.3678
3 C8y C 26.7714 -22.2086
4 C8x C 25.5656 -20.0998
5 C1b C 28.1111 -18.9697
6 C8x C 28.9325 -21.5095
7 N4x N 28.1052 -22.6454
8 C8x C 25.5656 -22.9017
9 C8x C 24.3481 -20.8046
10 C1c C 29.3169 -18.2766
11 C8x C 24.3481 -22.2027
12 N1d N 30.5227 -18.9640 #+
13 C6a C 29.3169 -16.8843
14 C1a C 31.7343 -18.2707
15 C1a C 30.5168 -20.3678
16 C1a C 31.7343 -19.6687
17 O6a O 28.0995 -16.1795
18 O6a O 30.5227 -16.1795 #-
BOND 19
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 8 11 2
11 10 12 1
12 10 13 1 #Up
13 12 14 1
14 12 15 1
15 12 16 1
16 13 17 2
17 13 18 1
18 6 7 1
19 9 11 1
| 
