ATOM 31
1 C8y C 18.4100 -19.1100
2 C8y C 18.4100 -20.5100
3 C8y C 15.9600 -18.9700
4 C8x C 15.9600 -20.3700
5 C8x C 17.0100 -21.1400
6 C8x C 17.2200 -18.3400
7 O7a O 14.7000 -18.2700
8 C7a C 13.5100 -18.9000
9 N1y N 19.6700 -21.0000
10 C1y C 20.5100 -19.9500
11 C1z C 19.7400 -18.7600
12 O2x O 21.9100 -19.8100
13 N1y N 22.5400 -18.5500
14 C1x C 21.7700 -17.4300
15 C1x C 20.3700 -17.5000
16 C1a C 18.9700 -17.5700
17 C1a C 20.0200 -22.3300
18 N1b N 12.3200 -18.1300
19 C1a C 11.0600 -18.7600
20 O6a O 13.5100 -20.3000
21 C1a C 23.9400 -18.5500
22 O6a O 26.3200 -17.7100
23 C6a C 27.5324 -18.4100
24 O6a O 28.7279 -17.7196
25 C8y C 27.5325 -19.8098
26 C8x C 26.3033 -20.5198
27 C8x C 26.3035 -21.9198
28 C8x C 27.5161 -22.6196
29 C8x C 28.7453 -21.9096
30 C8y C 28.7451 -20.5096
31 O1a O 29.9758 -19.7986
BOND 33
1 2 9 1
2 9 10 1
3 1 6 1
4 6 3 2
5 3 7 1
6 10 12 1
7 12 13 1
8 13 14 1
9 14 15 1
10 15 11 1
11 1 2 2
12 11 16 1 #Up
13 7 8 1
14 9 17 1
15 3 4 1
16 4 5 2
17 8 18 1
18 5 2 1
19 18 19 1
20 10 11 1
21 8 20 2
22 11 1 1
23 13 21 1
24 22 23 2
25 23 24 1
26 23 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 25 30 1
33 30 31 1
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