ATOM 31
1 C8y C 36.8200 -24.2900
2 C8y C 35.6300 -24.9900
3 C8y C 36.8200 -22.8900
4 C8y C 38.0100 -24.9900
5 C8y C 34.3700 -24.2900
6 O1a O 35.6300 -26.3900
7 C8x C 35.6300 -22.1200
8 O2x O 38.0100 -22.1900
9 C8x C 39.2000 -24.2900
10 O5x O 38.0100 -26.3900
11 C8y C 34.3700 -22.8200
12 C8y C 39.2000 -22.8900
13 C1a C 40.3900 -22.1900
14 O2x O 33.1800 -22.1200
15 C1z C 31.9900 -22.8200
16 C1y C 31.9900 -24.2900
17 C1x C 33.1800 -24.9900
18 O2a O 30.7300 -24.9900
19 C1a C 31.6400 -21.4900
20 C1a C 30.5900 -22.8200
21 C1y C 29.5176 -25.6900
22 O2x O 28.3221 -24.9996
23 C1y C 27.1096 -25.6995
24 C1y C 27.1094 -27.0995
25 C1y C 28.3049 -27.7899
26 C1y C 29.5174 -27.0900
27 C1b C 25.8784 -24.9885
28 O1a O 28.3047 -29.1898
29 O1a O 24.6815 -25.6795
30 O1a O 25.8866 -27.8054
31 O1a O 30.7466 -27.8000
BOND 34
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 8 12 1
12 12 13 1
13 7 11 2
14 9 12 2
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 5 17 1
20 16 18 1 #Down
21 15 19 1
22 15 20 1
23 21 18 1 #Up
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 21 26 1
30 23 27 1 #Up
31 25 28 1 #Up
32 27 29 1
33 24 30 1 #Down
34 26 31 1 #Down
|