ATOM 50
1 N1a N 9.8700 -15.1900
2 C1c C 11.0600 -14.4900
3 C5a C 12.3200 -15.1900
4 N1b N 13.5100 -14.4900
5 C1c C 14.7000 -15.1900
6 C5a C 15.9600 -14.4900
7 N1b N 17.1500 -15.1900
8 C1c C 18.3400 -14.4900
9 C5a C 19.6000 -15.1900
10 N1b N 20.7900 -14.4900
11 C1c C 21.9800 -15.1900
12 C5a C 23.2400 -14.4900
13 N1b N 24.4300 -15.1900
14 C1c C 25.6200 -14.4900
15 C6a C 26.8100 -15.1900
16 C1b C 11.0600 -13.0900
17 C1b C 12.2500 -12.3900
18 S2a S 12.2500 -10.9900
19 C1a C 13.4400 -10.2900
20 O5a O 12.3200 -16.5900
21 O5a O 15.9600 -13.0900
22 O5a O 19.6000 -16.5900
23 O5a O 23.2400 -13.0900
24 C1b C 14.7000 -16.5900
25 C1b C 15.8900 -17.2900
26 C1b C 15.8900 -18.6900
27 N1b N 17.0800 -19.3900
28 C2c C 17.0800 -20.7900
29 N1a N 18.2700 -21.4900
30 N2a N 15.8900 -21.4900
31 C1b C 18.3400 -12.6700
32 C8y C 19.5300 -11.9700
33 C8x C 20.7200 -12.6700
34 C8x C 21.9800 -11.9700
35 C8y C 21.9800 -10.5700
36 C8x C 20.7900 -9.8700
37 C8x C 19.5300 -10.5700
38 O1a O 23.1700 -9.8700
39 C1b C 21.9800 -17.2900
40 C1c C 23.1700 -17.9900
41 C1a C 24.3600 -17.2900
42 C1a C 23.1700 -19.3900
43 C1b C 25.6200 -13.0900
44 C8y C 26.8100 -12.3900
45 N5x N 28.0935 -12.9490
46 C8x C 29.0219 -11.9010
47 N4x N 28.3120 -10.6943
48 C8x C 26.9450 -10.9965
49 O6a O 28.0281 -14.4999
50 O6a O 26.7986 -16.5900
BOND 51
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 1 #Up
16 16 17 1
17 17 18 1
18 18 19 1
19 3 20 2
20 6 21 2
21 9 22 2
22 12 23 2
23 5 24 1 #Down
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 28 30 2
30 8 31 1 #Up
31 31 32 1
32 32 33 2
33 33 34 1
34 34 35 2
35 35 36 1
36 36 37 2
37 32 37 1
38 35 38 1
39 11 39 1 #Down
40 39 40 1
41 40 41 1
42 40 42 1
43 14 43 1 #Up
44 43 44 1
45 44 45 1
46 45 46 2
47 46 47 1
48 47 48 1
49 44 48 2
50 15 49 1
51 15 50 2
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