ATOM 20
1 C8x C 22.5634 -19.9488
2 C8x C 22.5634 -21.3518
3 C8x C 23.7814 -22.0532
4 N5x N 23.7814 -19.2474
5 N4x N 26.3183 -19.5234
6 C8y C 25.0621 -19.9488
7 C8y C 25.0355 -21.3426
8 N5x N 26.3145 -21.7741
9 C8y C 27.1326 -20.6457
10 C8y C 28.5356 -20.6454
11 C8x C 29.2303 -21.8613
12 C8x C 30.6331 -21.8610
13 C8y C 31.3343 -20.6460
14 C8x C 30.6326 -19.4312
15 C8y C 29.2298 -19.4316
16 O2a O 28.5256 -18.2181
17 C1a C 29.3645 -16.9315
18 S4a S 32.7371 -20.6457
19 C1a C 33.4389 -21.8605
20 O3c O 33.4384 -19.4306
BOND 22
1 4 1 1
2 9 10 1
3 6 7 1
4 1 2 2
5 2 3 1
6 3 7 2
7 10 11 2
8 11 12 1
9 12 13 2
10 13 14 1
11 14 15 2
12 15 10 1
13 6 4 2
14 15 16 1
15 5 6 1
16 16 17 1
17 7 8 1
18 13 18 1
19 8 9 2
20 18 19 1
21 9 5 1
22 18 20 2
|