ATOM 19
1 C8y C 22.3300 -21.4200
2 C8y C 22.3300 -22.8200
3 C8y C 23.5900 -23.5200
4 C8y C 24.7800 -22.8200
5 C8y C 24.7800 -21.4200
6 C8x C 23.5900 -20.7200
7 X I 21.1400 -20.7200
8 X I 26.0400 -20.7200
9 X I 23.5900 -24.9200
10 N2b N 26.0400 -23.5200
11 C2b C 27.2300 -22.8200
12 N1c N 28.4200 -23.5200
13 C1a C 29.6100 -22.8200
14 C1a C 28.4200 -24.9200
15 C1b C 21.1400 -23.5200
16 C1b C 19.9500 -22.8200
17 C6a C 18.7600 -23.5200
18 O6a O 17.5700 -22.8200
19 O6a O 18.7600 -24.9200
BOND 19
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 1 7 1
8 5 8 1
9 3 9 1
10 4 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 12 14 1
15 2 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 17 19 2
|