ATOM 50
1 C8y C 17.8500 -18.4100
2 C1y C 18.9000 -17.4300
3 C8y C 16.6600 -17.7100
4 C8x C 17.8500 -19.8100
5 C1y C 18.3400 -16.1700
6 N1b N 20.0900 -18.2000
7 C1x C 16.9400 -16.3100
8 C8x C 15.4700 -18.4100
9 C8x C 16.6600 -20.5100
10 O1a O 19.0400 -14.9800
11 C5a C 21.4200 -17.4300
12 C8x C 15.4700 -19.8100
13 C1c C 22.6100 -18.1300
14 O5a O 21.4200 -16.0300
15 C1b C 22.6100 -19.5300
16 C1b C 23.8700 -17.4300
17 C8y C 21.4200 -20.2300
18 C1c C 25.0600 -18.1300
19 C8x C 21.4200 -21.6300
20 C8x C 20.2300 -19.5300
21 C1b C 26.2500 -17.4300
22 O1a O 25.0600 -19.5300
23 C8x C 20.2300 -22.3300
24 C8x C 19.0400 -20.2300
25 N1y N 27.5100 -18.1300
26 C8x C 19.0400 -21.6300
27 C1y C 28.7000 -17.4300
28 C1x C 27.5100 -19.5300
29 C1x C 29.8900 -18.1300
30 C5a C 28.7000 -16.0300
31 C1x C 28.7000 -20.2300
32 N1y N 29.8900 -19.5300
33 N1b N 29.8900 -15.3300
34 O5a O 27.5100 -15.3300
35 C1b C 31.1500 -20.2300
36 C1d C 31.1500 -16.0300
37 C8y C 32.3400 -19.5300
38 C1a C 32.4100 -16.8000
39 C1a C 30.5200 -17.0800
40 C1a C 31.7800 -14.8400
41 C8x C 32.3400 -18.1300
42 C8x C 33.5300 -20.2300
43 C8x C 33.5300 -17.4300
44 N5x N 34.7900 -19.5300
45 C8x C 34.7900 -18.1300
46 S4a S 24.2900 -22.8200
47 O1d O 22.8900 -22.8200
48 O1d O 25.6900 -22.8200
49 O1d O 24.2900 -21.4200
50 O1d O 24.2900 -24.2200
BOND 53
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1 #Up
10 6 11 1
11 8 12 2
12 11 13 1
13 11 14 2
14 13 15 1 #Up
15 13 16 1
16 15 17 1
17 16 18 1
18 17 19 2
19 17 20 1
20 18 21 1
21 18 22 1 #Up
22 19 23 1
23 20 24 2
24 21 25 1
25 23 26 2
26 25 27 1
27 25 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 29 32 1
32 30 33 1
33 30 34 2
34 32 35 1
35 33 36 1
36 35 37 1
37 36 38 1
38 36 39 1
39 36 40 1
40 37 41 1
41 37 42 2
42 41 43 2
43 42 44 1
44 43 45 1
45 5 7 1
46 9 12 1
47 24 26 1
48 31 32 1
49 44 45 2
50 46 47 1
51 46 48 1
52 46 49 2
53 46 50 2
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