ATOM 44
1 C8y C 18.5500 -25.4800
2 C8y C 18.5500 -26.8800
3 C8x C 19.7400 -27.5800
4 C8y C 20.9300 -26.8800
5 C8y C 20.9300 -25.4800
6 C8x C 19.7400 -24.7800
7 C2x C 22.1900 -27.5800
8 C2y C 23.3800 -26.8800
9 C1y C 23.3800 -25.4800
10 C1y C 22.1900 -24.7800
11 C8y C 22.1900 -23.3800
12 C8x C 23.3800 -22.6800
13 C8y C 23.3800 -21.2800
14 C8y C 22.1900 -20.5800
15 C8x C 20.9300 -21.2800
16 C8x C 20.9300 -22.6800
17 C5a C 24.5700 -24.7800
18 C5a C 24.5700 -27.5800
19 O1a O 22.1900 -19.1800
20 O1a O 24.5700 -20.5800
21 O1a O 17.2900 -24.7800
22 O1a O 17.2900 -27.5800
23 N1b N 25.7600 -25.4800
24 C1b C 27.0200 -24.7800
25 C1b C 28.2100 -25.4800
26 C8y C 29.4000 -24.7800
27 N1b N 25.7600 -26.9500
28 C1b C 27.0200 -27.5800
29 C1b C 28.2100 -26.9500
30 C8y C 29.4000 -27.5800
31 O5a O 24.5700 -23.3800
32 O5a O 24.5700 -29.0500
33 C8x C 30.5900 -25.4800
34 C8x C 31.7800 -24.7800
35 C8y C 31.7800 -23.3800
36 C8x C 30.5900 -22.6800
37 C8x C 29.4000 -23.3800
38 C8x C 29.4000 -29.0500
39 C8x C 30.5900 -29.7500
40 C8y C 31.7800 -29.0500
41 C8x C 31.7800 -27.5800
42 C8x C 30.5900 -26.8800
43 O1a O 33.0400 -29.7500
44 O1a O 33.0400 -22.6800
BOND 48
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1 #Down
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 9 17 1 #Up
20 8 18 1
21 14 19 1
22 13 20 1
23 1 21 1
24 2 22 1
25 17 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 18 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 17 31 2
34 18 32 2
35 26 33 1
36 33 34 2
37 34 35 1
38 35 36 2
39 36 37 1
40 26 37 2
41 30 38 2
42 38 39 1
43 39 40 2
44 40 41 1
45 41 42 2
46 30 42 1
47 40 43 1
48 35 44 1
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