ATOM 24
1 C2y C 17.8500 -17.2200
2 C2y C 17.8500 -18.6200
3 C5x C 19.0624 -19.3200
4 C2y C 20.2749 -18.6200
5 C2y C 20.2749 -17.2200
6 C5x C 19.0624 -16.5200
7 O5x O 19.0624 -15.1202
8 O5x O 19.0624 -20.7198
9 O2a O 21.5124 -19.3200
10 C1b C 22.7249 -18.6200
11 C1b C 23.9373 -19.3200
12 O2a O 25.1497 -18.6200
13 C1a C 26.3622 -19.3200
14 O2a O 16.6376 -16.5200
15 C1b C 15.4251 -17.2200
16 C1b C 14.2127 -16.5200
17 O2a O 13.0003 -17.2200
18 C1a C 11.7878 -16.5200
19 N1y N 21.5060 -16.5090
20 N1y N 16.6376 -19.3200
21 C1x C 22.8583 -16.8713
22 C1x C 22.4959 -15.5191
23 C1x C 15.2376 -19.3200
24 C1x C 15.6477 -20.3099
BOND 26
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 6 7 2
8 3 8 2
9 4 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 1 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 5 19 1
20 2 20 1
21 19 21 1
22 19 22 1
23 22 21 1
24 20 23 1
25 20 24 1
26 23 24 1
|