ATOM 33
1 C1z C 22.6100 -28.3500
2 C8y C 22.6100 -27.0200
3 C1z C 23.8000 -29.0500
4 C1y C 21.4900 -28.9800
5 C1x C 23.8000 -27.6500
6 C8y C 21.4900 -26.3900
7 C8y C 23.8000 -26.3900
8 C1y C 24.8500 -28.3500
9 C1x C 23.8000 -30.3100
10 O2x O 20.1600 -27.5800
11 C1y C 21.4900 -30.3100
12 C1x C 25.9700 -27.6500
13 C8y C 21.4900 -25.0600
14 C1x C 24.8500 -27.0900
15 C8x C 23.8000 -25.0600
16 N1y N 25.9700 -29.0500
17 C1x C 22.6100 -31.0100
18 N1b N 20.3700 -31.0100
19 C8x C 22.6800 -24.4300
20 O1a O 20.3700 -24.4300
21 O1a O 24.9900 -29.9600
22 C1b C 27.1600 -28.3500
23 C1y C 28.3500 -29.0500
24 C1x C 29.0500 -30.3100
25 C1x C 29.7500 -29.0500
26 C5a C 19.1338 -30.3529
27 C2b C 17.9172 -31.1129
28 O5a O 19.0854 -28.9802
29 C2b C 16.6698 -30.4499
30 C7a C 15.4755 -31.1964
31 O7a O 14.2449 -30.5424
32 C1a C 13.0434 -31.2940
33 O6a O 15.4556 -32.6189
BOND 38
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 1
17 11 18 1 #Up
18 13 19 2
19 13 20 1
20 6 10 1
21 8 14 1
22 11 17 1
23 12 16 1
24 15 19 1
25 3 21 1 #Up
26 22 23 1
27 22 16 1
28 24 25 1
29 25 23 1
30 23 24 1
31 18 26 1
32 26 27 1
33 26 28 2
34 27 29 2
35 29 30 1
36 30 31 1
37 31 32 1
38 30 33 2
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