ATOM 20
1 P1a P 22.1200 -17.4300
2 S0 S 22.1200 -16.0300
3 O2b O 23.5200 -17.4300
4 O2b O 20.7200 -17.4300
5 O2b O 22.1200 -18.8300
6 C1b C 20.0200 -16.2176
7 C1a C 18.6202 -16.2176
8 C1c C 20.9076 -19.5300
9 C1a C 19.7121 -18.8396
10 C1a C 20.9075 -20.9298
11 C8y C 24.2200 -18.6424
12 C8x C 23.5296 -19.8379
13 N5x N 24.2295 -21.0504
14 C8y C 25.6295 -21.0506
15 N5x N 26.3199 -19.8551
16 C8x C 25.6200 -18.6426
17 C1d C 26.3354 -22.2734
18 C1a C 27.7199 -22.2732
19 C1a C 25.6375 -23.4824
20 C1a C 27.0354 -23.4858
BOND 20
1 1 2 2
2 1 3 1
3 1 4 1
4 1 5 1
5 4 6 1
6 6 7 1
7 5 8 1
8 8 9 1
9 8 10 1
10 3 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 11 16 1
17 14 17 1
18 17 18 1
19 17 19 1
20 17 20 1
|