ATOM 42
1 C8x C 16.5900 -17.0100
2 C8x C 16.5900 -18.4800
3 C8x C 17.8500 -19.1800
4 C8y C 19.0400 -18.4800
5 C8y C 19.0400 -17.0100
6 C8x C 17.8500 -16.3100
7 N4x N 20.3700 -18.9000
8 C8y C 21.2100 -17.7100
9 C8y C 20.3700 -16.5900
10 C1y C 22.6100 -17.5700
11 N1y N 23.1700 -16.3100
12 C1x C 22.3300 -15.1900
13 C1x C 20.9300 -15.3300
14 C1x C 23.4500 -18.7600
15 C1y C 24.8500 -18.6200
16 C1y C 25.4100 -17.2900
17 C1x C 24.5700 -16.1700
18 C1y C 25.6200 -19.7400
19 C1y C 27.0200 -19.6000
20 C1y C 27.5800 -18.2700
21 C1x C 26.8100 -17.1500
22 C7a C 25.0600 -21.0000
23 O6a O 23.7300 -21.0000
24 O7a O 25.9000 -22.1200
25 O2a O 27.8600 -20.7200
26 C1a C 29.2600 -20.7200
27 C1a C 27.3000 -22.1200
28 O7a O 29.0500 -18.2700
29 C7a C 29.6800 -17.0800
30 C8y C 31.1500 -17.0800
31 C8x C 31.8500 -18.2700
32 C8y C 33.2500 -18.2700
33 C8y C 33.9500 -17.0100
34 C8y C 33.2500 -15.8200
35 C8x C 31.8500 -15.8200
36 O6a O 28.9800 -15.8200
37 O2a O 33.9500 -14.6300
38 C1a C 35.3500 -14.7000
39 O2a O 35.3500 -17.0100
40 O2a O 33.9500 -19.4600
41 C1a C 35.3500 -19.4600
42 C1a C 36.0500 -15.8200
BOND 47
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 10 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 11 17 1
21 15 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 16 21 1
26 18 22 1 #Up
27 22 23 2
28 22 24 1
29 19 25 1 #Down
30 25 26 1
31 24 27 1
32 20 28 1 #Up
33 28 29 1
34 29 30 1
35 30 31 2
36 31 32 1
37 32 33 2
38 33 34 1
39 34 35 2
40 30 35 1
41 29 36 2
42 34 37 1
43 37 38 1
44 33 39 1
45 32 40 1
46 40 41 1
47 39 42 1
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