ATOM 51
1 C1y C 27.5800 -23.5900
2 C1x C 28.6300 -22.7500
3 N1x N 30.0300 -23.0300
4 C8y C 30.5900 -24.2900
5 C2y C 27.5800 -24.9900
6 C8y C 30.0300 -25.5500
7 N2x N 28.6300 -25.8300
8 C1y C 26.2500 -23.1700
9 C1z C 25.4100 -24.2900
10 C1z C 26.2500 -25.4100
11 C8y C 24.5700 -23.1700
12 C8y C 23.3100 -23.5900
13 N1x N 23.3100 -24.9900
14 C5x C 24.5700 -25.4100
15 C8x C 24.9200 -21.8400
16 C8x C 23.8700 -20.8600
17 C8y C 22.5400 -21.2800
18 C8x C 22.2600 -22.6800
19 O5x O 24.5700 -26.6000
20 C7a C 26.1100 -20.9300
21 O7a O 24.8500 -20.3000
22 O6a O 27.2300 -20.1600
23 C1y C 24.8500 -18.9000
24 C1y C 26.0400 -18.2000
25 C1y C 26.0400 -16.8000
26 C1y C 24.8500 -16.1000
27 C1y C 23.6600 -16.8000
28 C1y C 23.6600 -18.2000
29 O2a O 27.2300 -18.9000
30 O1a O 22.4700 -18.9000
31 O1a O 22.4700 -16.1000
32 O1a O 24.8500 -14.7000
33 X Br 21.4900 -20.3700
34 C1a C 25.8300 -26.7400
35 O1a O 26.9500 -26.6000
36 O1a O 27.2300 -16.1000
37 C1y C 28.4200 -18.2000
38 C1y C 29.6100 -18.9000
39 C1y C 30.8700 -18.2000
40 C1y C 30.8700 -16.8000
41 C1x C 29.6800 -16.1000
42 O2x O 28.4200 -16.8000
43 O1a O 32.0600 -16.1000
44 O1a O 32.0600 -18.9000
45 O1a O 29.6100 -20.3000
46 C8y C 30.7300 -26.7400
47 N4x N 32.1300 -26.7400
48 C8y C 32.8300 -25.5500
49 N4x N 32.1300 -24.2900
50 O5x O 34.2299 -25.5672
51 O5x O 30.0349 -27.9553
BOND 57
1 3 4 1
2 1 5 1
3 4 6 2
4 2 3 1
5 5 7 2
6 1 2 1
7 6 7 1
8 1 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 11 12 1
13 12 13 1
14 13 14 1
15 11 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 12 18 2
20 9 11 1 #Down
21 9 14 1 #Up
22 14 19 2
23 8 20 1 #Up
24 20 21 1
25 20 22 2
26 23 21 1 #Down
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 28 1
33 24 29 1 #Up
34 28 30 1 #Up
35 27 31 1 #Up
36 26 32 1 #Up
37 17 33 1
38 10 34 1
39 10 35 1 #Up
40 25 36 1 #Down
41 37 29 1 #Down
42 37 38 1
43 38 39 1
44 39 40 1
45 40 41 1
46 41 42 1
47 37 42 1
48 40 43 1 #Up
49 39 44 1 #Down
50 38 45 1 #Up
51 46 47 1
52 47 48 1
53 48 49 1
54 49 4 1
55 46 6 1
56 48 50 2
57 46 51 2
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