ATOM 27
1 C1z C 22.4297 -21.7112
2 C1y C 22.4239 -23.1225
3 C2y C 21.2240 -21.0142
4 C1y C 23.7768 -21.2771
5 O2a O 22.4180 -20.3638
6 C1y C 21.2240 -23.8253
7 O2x O 23.7710 -23.5681
8 C2x C 19.9997 -21.7112
9 O2a O 21.2240 -19.6086
10 C1y C 24.5967 -22.4313
11 C1a C 24.3183 -20.1761
12 C1a C 23.4900 -19.1002
13 C5x C 19.9997 -23.1166
14 C1b C 21.2123 -25.3419
15 C1a C 20.1460 -18.7361
16 C8y C 26.0021 -22.4372
17 O5x O 18.7811 -23.8253
18 C2b C 20.2922 -26.3441
19 C8x C 26.6934 -23.6558
20 C8x C 26.7051 -21.2129
21 C2a C 20.2862 -27.5498
22 C8y C 28.0989 -23.6675
23 C8x C 28.1106 -21.2187
24 C8y C 28.8077 -22.4430
25 O2x O 29.0543 -24.7093
26 O2x O 30.1839 -22.7426
27 C1x C 30.3372 -24.1422
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 2
8 3 9 1
9 4 10 1
10 4 11 1 #Down
11 5 12 1
12 6 13 1
13 6 14 1 #Down
14 9 15 1
15 10 16 1 #Up
16 13 17 2
17 14 18 1
18 16 19 2
19 16 20 1
20 18 21 2
21 19 22 1
22 20 23 2
23 22 24 2
24 22 25 1
25 24 26 1
26 25 27 1
27 7 10 1
28 8 13 1
29 23 24 1
30 26 27 1
|