ATOM 57
1 C8y C 30.2624 -38.7800
2 C5a C 31.4749 -38.0800
3 S2a S 32.6873 -38.7800
4 C1b C 33.8997 -38.0800
5 C1b C 35.1122 -38.7800
6 N1b N 36.3246 -38.0800
7 C5a C 37.5370 -38.7800
8 C1b C 38.7495 -38.0800
9 C1b C 39.9619 -38.7800
10 N1b N 41.1744 -38.0800
11 C5a C 42.3868 -38.7800
12 C1c C 43.5992 -38.0800
13 C1d C 44.8117 -38.7800
14 C1b C 46.0241 -38.0800
15 O2b O 47.2365 -38.7800
16 O5a O 31.4749 -36.6802
17 O5a O 37.5370 -40.1799
18 O5a O 42.3868 -40.1796
19 O1a O 43.5992 -36.6800
20 C1a C 44.8117 -37.3800
21 C1a C 44.8117 -40.1800
22 P1b P 48.6365 -38.7800
23 O1c O 50.0365 -38.7800
24 O1c O 48.6365 -40.1800
25 C1y C 42.1400 -33.8100
26 C1y C 43.5400 -33.8100
27 C1y C 43.9726 -32.4785
28 O2x O 42.8400 -31.6556
29 C1y C 41.7074 -32.4785
30 C1b C 45.2922 -32.0497
31 O1a O 41.3171 -34.9426
32 O2b O 44.3629 -34.9426
33 P1b P 45.7629 -34.9426
34 O1c O 45.7629 -33.5426
35 O1c O 47.1629 -34.9426
36 O1c O 45.7629 -36.3426
37 C8y C 37.5900 -30.6600
38 C8y C 37.5900 -32.0600
39 N4y N 40.0149 -32.0600
40 C8x C 40.0149 -30.6600
41 N5x N 38.8024 -29.9600
42 C8y C 36.3776 -29.9600
43 N5x N 35.1651 -30.6600
44 C8x C 35.1651 -32.0600
45 N5x N 36.3776 -32.7600
46 N1a N 36.3776 -28.5602
47 O2b O 47.2745 -32.4820
48 P1b P 48.6745 -32.4820
49 O1c O 48.6745 -31.0820
50 O1c O 50.0745 -32.4820
51 O2c O 48.6745 -35.7020
52 C8x C 29.0333 -38.0702
53 C8y C 27.8208 -38.7700
54 C8x C 27.8206 -40.1700
55 C8x C 29.0497 -40.8798
56 C8x C 30.2622 -40.1800
57 X F 26.5901 -38.0588
BOND 60
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 2
55 52 53 1
56 53 54 2
57 54 55 1
58 55 56 2
59 1 56 1
60 53 57 1
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