ATOM 54
1 C1y C 22.7500 -16.0300
2 C5a C 23.9400 -15.3300
3 N1b N 25.2000 -16.0300
4 C1c C 26.3900 -15.3300
5 C8y C 27.5800 -16.0300
6 N5x N 27.7200 -17.4300
7 C8y C 29.1200 -17.7100
8 C8x C 29.8200 -16.5200
9 S2x S 28.9100 -15.4700
10 C1y C 21.4900 -15.4700
11 O2x O 20.5100 -16.5200
12 C2y C 21.2100 -17.7100
13 N2x N 22.6100 -17.4300
14 C1c C 20.5100 -18.9000
15 N1b N 21.2100 -20.1600
16 C5a C 20.5100 -21.3500
17 C8y C 21.2100 -22.5400
18 C5a C 29.8200 -18.9000
19 N1b N 29.1200 -20.1600
20 C1c C 29.8200 -21.3500
21 C8y C 22.7500 -24.2200
22 C1c C 23.9400 -24.9200
23 N1b N 25.2000 -24.2200
24 C5a C 26.3900 -24.9200
25 C1y C 27.5800 -24.2200
26 C1y C 28.8400 -24.7800
27 O2x O 29.8200 -23.7300
28 C2y C 29.1200 -22.5400
29 N2x N 27.7200 -22.8200
30 N5x N 22.6100 -22.8200
31 C8x C 20.5100 -23.7300
32 S2x S 21.4900 -24.7800
33 O5a O 19.1100 -21.3500
34 C1b C 23.9400 -26.3200
35 O5a O 26.3900 -26.3200
36 C1a C 29.1200 -26.1800
37 C1c C 31.2200 -21.3500
38 C1b C 31.9200 -22.5400
39 C1a C 31.9200 -20.1600
40 C1a C 31.2200 -23.7300
41 O5a O 31.2200 -18.9000
42 C1a C 26.3900 -13.9300
43 O5a O 23.9400 -13.9300
44 C1a C 21.2100 -14.1400
45 C8y C 22.7500 -27.0200
46 C8x C 21.4900 -26.3200
47 C8x C 20.3000 -27.0200
48 C8x C 20.3000 -28.4200
49 C8x C 21.4900 -29.1200
50 C8x C 22.7500 -28.4200
51 C1c C 19.1100 -18.9000
52 C1a C 18.4100 -20.0900
53 C1b C 18.4100 -17.6400
54 C1a C 19.1800 -16.4500
BOND 59
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 2
8 8 9 1
9 5 9 1
10 1 10 1
11 10 11 1
12 11 12 1
13 12 13 2
14 1 13 1
15 12 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 7 18 1
20 18 19 1
21 19 20 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 2
30 25 29 1
31 21 30 2
32 30 17 1
33 17 31 2
34 31 32 1
35 21 32 1
36 20 28 1
37 16 33 2
38 22 34 1 #Down
39 24 35 2
40 26 36 1 #Down
41 20 37 1
42 37 38 1 #Up
43 37 39 1
44 38 40 1
45 18 41 2
46 4 42 1 #Down
47 2 43 2
48 10 44 1 #Down
49 34 45 1
50 45 46 2
51 46 47 1
52 47 48 2
53 48 49 1
54 49 50 2
55 45 50 1
56 14 51 1
57 51 52 1
58 51 53 1 #Up
59 53 54 1
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