ATOM 39
1 C1x C 25.0600 -22.5400
2 C1z C 25.0600 -23.9400
3 C1x C 26.2500 -24.6400
4 C1y C 27.5100 -23.9400
5 C1z C 27.5100 -22.5400
6 C1x C 26.2500 -21.8400
7 C1x C 28.7000 -24.6400
8 C2x C 29.8900 -23.9400
9 C2y C 29.8900 -22.5400
10 C1z C 28.7000 -21.8400
11 C1z C 31.1500 -21.8400
12 C1z C 31.1500 -20.4400
13 C1x C 29.8900 -19.7400
14 C1y C 28.7000 -20.4400
15 C1x C 33.5300 -21.8400
16 C2x C 33.5300 -20.4400
17 C2y C 32.3400 -19.7400
18 C1a C 27.5100 -21.1400
19 O1a O 23.8700 -24.6400
20 O2x O 31.1500 -23.2400
21 O2x O 28.7000 -23.1700
22 O1a O 27.5100 -19.8800
23 C1x C 31.1500 -19.0400
24 C1c C 32.3400 -17.7800
25 C1a C 33.5300 -17.0800
26 O7a O 31.1500 -17.0800
27 N1y N 34.3700 -19.0400
28 C1x C 33.2500 -23.2400
29 C1x C 35.2100 -21.2100
30 C1a C 35.6300 -18.2700
31 C7a C 29.9600 -17.7800
32 C8y C 28.7700 -17.0800
33 O6a O 29.9600 -19.1100
34 C8y C 28.6300 -15.6800
35 C8x C 27.2300 -15.4000
36 N4x N 26.5300 -16.5900
37 C8y C 27.4400 -17.6400
38 C1a C 29.6800 -14.7700
39 C1a C 26.9500 -18.6900
BOND 45
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 2
20 12 17 1
21 5 18 1 #Up
22 2 19 1 #Up
23 11 20 1 #Up
24 2 21 1 #Down
25 10 21 1 #Down
26 14 22 1 #Down
27 12 23 1 #Up
28 17 24 1
29 24 25 1 #Up
30 24 26 1
31 23 27 1
32 20 28 1
33 28 29 1
34 27 29 1
35 27 30 1
36 26 31 1
37 31 32 1
38 31 33 2
39 32 34 1
40 34 35 2
41 35 36 1
42 36 37 1
43 32 37 2
44 34 38 1
45 37 39 1
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