ATOM 17
1 C8y C 25.3400 -16.9400
2 N5x N 25.3400 -18.3400
3 C8y C 26.5300 -19.0400
4 N5x N 27.7200 -18.3400
5 C8y C 27.7200 -16.9400
6 C8y C 26.5300 -16.2400
7 C1a C 26.5300 -14.8400
8 C1a C 24.0800 -16.2400
9 N1c N 26.5300 -20.4400
10 C1a C 25.3400 -21.1400
11 C1a C 27.7900 -21.1400
12 O7a O 28.9800 -16.2400
13 C7a C 30.1700 -16.9400
14 N1c N 31.3600 -16.2400
15 C1a C 32.6200 -16.9400
16 O6a O 30.1700 -18.3400
17 C1a C 31.3600 -14.8400
BOND 17
1 2 3 1
2 3 9 1
3 3 4 2
4 9 10 1
5 4 5 1
6 9 11 1
7 5 6 2
8 5 12 1
9 6 1 1
10 12 13 1
11 13 14 1
12 6 7 1
13 14 15 1
14 1 2 2
15 13 16 2
16 1 8 1
17 14 17 1
|