ATOM 34
1 C1z C 26.7400 -22.1200
2 C1y C 28.0700 -21.7000
3 C1y C 25.9000 -20.9300
4 C1x C 26.7400 -23.5200
5 O2x O 25.4800 -22.8200
6 C2y C 28.0700 -20.3000
7 C1y C 29.2600 -22.4000
8 C2x C 26.7400 -19.8100
9 O7a O 24.5000 -20.9300
10 C2y C 29.3300 -19.6000
11 O2x O 30.5200 -21.7000
12 O7a O 29.2600 -23.8000
13 C2x C 30.5200 -20.3000
14 C1b C 29.3300 -18.2000
15 C7a C 30.4500 -24.5000
16 O7a O 30.5200 -17.5000
17 C1b C 31.7100 -23.8000
18 O6a O 30.4500 -25.9000
19 C7a C 31.7100 -18.2000
20 C1c C 32.9000 -24.5000
21 C1a C 32.9700 -17.5000
22 O6a O 31.7100 -19.6000
23 C1a C 34.0900 -23.8000
24 C1a C 32.9000 -25.9000
25 C7a C 23.8000 -19.7176
26 C1b C 22.4002 -19.7176
27 C1d C 21.7097 -18.5220
28 O6a O 24.4904 -18.5221
29 O7a O 21.0097 -17.3096
30 C1a C 20.4779 -19.2329
31 C1a C 22.9027 -17.8335
32 C7a C 19.6001 -17.3097
33 C1a C 18.8914 -16.0826
34 O6a O 18.9087 -18.5074
BOND 36
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1 #Up
9 6 10 1
10 7 11 1
11 7 12 1 #Up
12 10 13 2
13 10 14 1
14 12 15 1
15 14 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 17 20 1
20 19 21 1
21 19 22 2
22 20 23 1
23 20 24 1
24 4 5 1
25 6 8 2
26 11 13 1
27 9 25 1
28 25 26 1
29 26 27 1
30 25 28 2
31 27 29 1
32 27 30 1
33 27 31 1
34 29 32 1
35 32 33 1
36 32 34 2
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