ATOM 40
1 C1y C 26.8800 -17.5000
2 O2x O 28.1400 -16.8000
3 C1y C 26.8800 -18.9000
4 C6a C 25.8300 -16.5900
5 C1y C 29.3300 -17.5000
6 C1y C 28.1400 -19.6000
7 O6a O 26.1100 -15.2600
8 O6a O 24.5000 -17.0800
9 C1y C 29.3300 -18.9000
10 O2a O 30.5900 -16.8000
11 O1a O 28.1400 -21.0000
12 O1a O 30.5900 -19.6000
13 C1y C 24.5700 -21.6300
14 C1y C 24.5700 -20.2300
15 C1y C 23.3800 -22.2600
16 N1b N 26.4600 -22.6800
17 O2x O 23.3800 -19.6000
18 C1y C 22.1900 -21.6300
19 O1a O 23.3800 -23.5900
20 C5a C 26.4600 -24.0800
21 C1y C 22.1900 -20.2300
22 C1a C 25.3400 -24.7800
23 O5a O 27.5800 -24.7100
24 C1b C 21.0000 -19.6000
25 O1a O 20.0200 -20.4400
26 O2a O 25.7600 -19.5300
27 R R 31.7800 -17.5000
28 C1y C 17.2900 -22.9600
29 O2x O 18.5500 -22.2600
30 C1y C 17.2900 -24.3600
31 C6a C 16.2400 -22.0500
32 C1y C 19.7400 -22.9600
33 C1y C 18.5500 -25.0600
34 O1a O 16.1000 -25.0600
35 O6a O 16.5200 -20.7200
36 O6a O 14.9100 -22.5400
37 C1y C 19.7400 -24.3600
38 O1a O 18.5500 -26.4600
39 O1a O 21.0000 -25.0600
40 O2a O 20.9553 -22.2649
BOND 42
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 9 12 1 #Down
12 6 9 1
13 13 14 1
14 13 15 1
15 13 16 1 #Down
16 14 17 1
17 15 18 1
18 15 19 1 #Up
19 16 20 1
20 17 21 1
21 20 22 1
22 20 23 2
23 21 24 1 #Up
24 24 25 1
25 18 21 1
26 14 26 1 #Down
27 3 26 1 #Down
28 10 27 1
29 28 29 1
30 28 30 1
31 28 31 1 #Up
32 29 32 1
33 30 33 1
34 30 34 1 #Down
35 31 35 1
36 31 36 2
37 32 37 1
38 33 38 1 #Up
39 37 39 1 #Down
40 33 37 1
41 32 40 1 #Up
42 18 40 1 #Down
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