ATOM 33
1 N1y N 22.5400 -29.4000
2 C1y C 22.5400 -30.8000
3 C8y C 23.7300 -28.7000
4 C1b C 23.7300 -31.5000
5 C5x C 21.2100 -28.9800
6 C1x C 20.3700 -30.1000
7 C1x C 21.2100 -31.2200
8 C1b C 24.9200 -30.8000
9 C1b C 26.1100 -31.5000
10 C8y C 27.3000 -30.8000
11 C8x C 24.9200 -29.4000
12 C8x C 26.1800 -28.7000
13 C8y C 26.1800 -27.3000
14 C8x C 24.9900 -26.6000
15 C8x C 23.7300 -27.3000
16 C1c C 27.3700 -26.6000
17 C1b C 28.5600 -27.3000
18 O1a O 27.3700 -25.2000
19 C1b C 29.7500 -26.6000
20 C1b C 31.0100 -27.3000
21 C1b C 32.2000 -26.6000
22 C1a C 33.3900 -27.3000
23 C8x C 27.3000 -29.4000
24 S2x S 28.6300 -31.2200
25 C8y C 29.4700 -30.1000
26 C8x C 28.6300 -28.9800
27 O5x O 20.7900 -27.6500
28 C7a C 30.9400 -30.1000
29 O7a O 31.6400 -31.3600
30 O6a O 31.6400 -28.9100
31 C1c C 33.0400 -31.3600
32 C1a C 33.7400 -32.6200
33 C1a C 33.7500 -30.1534
BOND 35
1 1 2 1
2 1 3 1
3 2 4 1 #Up
4 1 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 4 8 1
9 8 9 1
10 9 10 1
11 3 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 3 15 1
17 13 16 1
18 16 17 1
19 16 18 1 #Up
20 17 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 23 10 2
25 10 24 1
26 24 25 1
27 25 26 2
28 23 26 1
29 5 27 2
30 25 28 1
31 28 29 1
32 28 30 2
33 29 31 1
34 31 32 1
35 31 33 1
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