ATOM 53
1 C1y C 26.5300 -20.4400
2 C5a C 27.7200 -19.7400
3 N1b N 28.9800 -20.4400
4 C1c C 30.1700 -19.7400
5 C8y C 31.3600 -20.4400
6 N5x N 31.5000 -21.8400
7 C8y C 32.9000 -22.1200
8 C8x C 33.6000 -20.9300
9 S2x S 32.6900 -19.8800
10 C1y C 25.2700 -19.8800
11 O2x O 24.2900 -20.9300
12 C2y C 24.9900 -22.1200
13 N2x N 26.3900 -21.8400
14 C1c C 24.2900 -23.3100
15 N1b N 24.9900 -24.5700
16 C5a C 24.2900 -25.7600
17 C8y C 24.9900 -26.9500
18 C5a C 33.6000 -23.3100
19 N1b N 32.9000 -24.5700
20 C1c C 33.6000 -25.7600
21 C8y C 26.5300 -28.6300
22 C1c C 27.7200 -29.3300
23 N1b N 28.9800 -28.6300
24 C5a C 30.1700 -29.3300
25 C1y C 31.3600 -28.6300
26 C1y C 32.6200 -29.1900
27 O2x O 33.6000 -28.1400
28 C2y C 32.9000 -26.9500
29 N2x N 31.5000 -27.2300
30 N5x N 26.3900 -27.2300
31 C8x C 24.2900 -28.1400
32 S2x S 25.2700 -29.1900
33 C1c C 22.8900 -23.3100
34 C1a C 22.1900 -24.5000
35 C1a C 22.1900 -22.0500
36 O5a O 22.8900 -25.7600
37 C1b C 27.7200 -30.7300
38 C8y C 26.4600 -31.4300
39 O5a O 30.1700 -30.7300
40 C1a C 32.9000 -30.5900
41 C1c C 35.0000 -25.7600
42 C1b C 35.7000 -26.9500
43 C1a C 35.7000 -24.5700
44 C1a C 35.0000 -28.1400
45 O5a O 35.0000 -23.3100
46 C1a C 30.1700 -18.3400
47 O5a O 27.7200 -18.3400
48 C1a C 24.9907 -18.5081
49 C8x C 25.2593 -30.7101
50 C8x C 24.0355 -31.3900
51 C8x C 24.0124 -32.7898
52 C8x C 25.2131 -33.5097
53 C8x C 26.4369 -32.8298
BOND 58
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 14 33 1 #Up
38 33 34 1
39 33 35 1
40 16 36 2
41 22 37 1 #Down
42 37 38 1
43 24 39 2
44 26 40 1 #Down
45 20 41 1
46 41 42 1 #Up
47 41 43 1
48 42 44 1
49 18 45 2
50 4 46 1 #Down
51 2 47 2
52 10 48 1 #Down
53 38 49 2
54 49 50 1
55 50 51 2
56 51 52 1
57 52 53 2
58 38 53 1
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