ATOM 39
1 C8y C 28.0000 -20.5800
2 C8y C 29.1200 -19.6000
3 C2y C 30.4500 -19.9500
4 C2y C 31.0800 -21.2800
5 C1x C 28.0000 -21.9800
6 C1y C 30.4500 -22.5400
7 C1x C 29.1200 -22.8200
8 C2x C 31.0100 -18.6900
9 C2x C 32.4800 -18.3400
10 C2y C 33.6000 -19.1800
11 C5x C 33.6000 -20.6500
12 C2x C 32.5500 -21.5600
13 C8y C 28.7700 -18.2700
14 C8y C 27.4400 -17.9200
15 C8y C 26.3900 -18.9000
16 C8x C 26.8100 -20.2300
17 O2a O 25.0600 -18.4800
18 O2a O 27.0200 -16.5900
19 C1a C 25.6900 -16.1700
20 O2a O 29.7500 -17.2900
21 C1a C 31.0800 -17.6400
22 O2a O 34.8600 -18.5500
23 C1a C 36.0500 -19.2500
24 O5x O 34.9300 -21.2100
25 N1b N 31.3600 -23.6600
26 C5a C 30.5900 -24.9200
27 O5a O 29.1900 -24.9200
28 C1a C 31.3600 -26.1100
29 C1y C 24.0800 -19.4600
30 O2x O 22.8200 -18.7600
31 C1y C 21.6300 -19.3900
32 C1y C 21.6300 -20.7900
33 C1y C 22.8200 -21.5600
34 C1y C 24.0800 -20.8600
35 O1a O 25.2700 -21.5600
36 O1a O 20.4400 -21.5600
37 C1b C 20.4400 -18.7600
38 O1a O 22.8200 -22.8900
39 O1a O 19.1800 -19.4600
BOND 42
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 9 10 2
9 10 11 1
10 8 9 1
11 4 12 2
12 3 8 2
13 11 12 1
14 2 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 1 2
19 15 17 1
20 14 18 1
21 18 19 1
22 13 20 1
23 20 21 1
24 10 22 1
25 22 23 1
26 11 24 2
27 6 25 1 #Up
28 25 26 1
29 26 27 2
30 26 28 1
31 29 17 1 #Up
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 29 34 1
38 34 35 1 #Down
39 32 36 1 #Down
40 31 37 1 #Up
41 33 38 1 #Up
42 37 39 1
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