ATOM 38
1 N1b N 31.7100 -12.5300
2 C7a C 32.5500 -11.9000
3 O7a O 33.6000 -12.5300
4 C2y C 29.9600 -12.8100
5 C1b C 24.6400 -13.7900
6 C2b C 25.7600 -13.0200
7 S3a S 23.5900 -13.0900
8 C1z C 28.2800 -12.3900
9 C1x C 29.0500 -11.6200
10 C5x C 30.2400 -11.6200
11 C2y C 27.0200 -13.0200
12 C2y C 28.7000 -13.6500
13 O5x O 31.2200 -10.7800
14 O1a O 27.0200 -11.6900
15 C0 C 30.2400 -13.3000
16 C1y C 27.8600 -14.4900
17 C0 C 29.0500 -14.8400
18 C0 C 30.1700 -15.2600
19 C2x C 31.5000 -15.6800
20 C2x C 31.8500 -14.7700
21 C0 C 31.0800 -13.8600
22 S3a S 22.4700 -13.7900
23 S3a S 21.4200 -13.0900
24 C1a C 20.3000 -13.7900
25 O2a O 27.8600 -15.9600
26 C1y C 26.4600 -16.7300
27 O6a O 32.5500 -10.5000
28 C1a C 34.7200 -11.9000
29 C1y C 24.0100 -16.7300
30 C1y C 24.0100 -18.1300
31 C1y C 25.2000 -18.8300
32 C1y C 26.4600 -18.1300
33 O2x O 25.2000 -16.0300
34 O1a O 27.6500 -18.8300
35 O1a O 25.2000 -20.2300
36 N1b N 22.8200 -18.8300
37 O1b O 21.6300 -18.1300
38 C1a C 22.8200 -16.0300
BOND 40
1 10 4 1
2 18 19 1
3 5 6 1
4 19 20 2
5 7 22 1
6 22 23 1
7 15 21 3
8 23 24 1
9 16 25 1 #Down
10 8 11 1
11 20 21 1
12 11 6 2
13 11 12 1
14 1 2 1
15 4 12 2
16 5 7 1
17 10 13 2
18 4 1 1
19 8 14 1 #Down
20 8 15 1
21 26 25 1 #Up
22 8 9 1
23 12 16 1
24 2 3 1
25 16 17 1
26 9 10 1
27 2 27 2
28 3 28 1
29 17 18 3
30 29 30 1
31 30 31 1
32 31 32 1
33 32 26 1
34 29 33 1
35 32 34 1 #Down
36 31 35 1 #Up
37 30 36 1 #Down
38 36 37 1
39 29 38 1 #Up
40 33 26 1
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