ATOM 45
1 C1y C 36.1900 -18.9000
2 C1y C 36.1900 -20.3000
3 O2x O 37.3800 -18.2000
4 C1c C 35.0000 -18.2000
5 C1y C 37.3800 -21.0000
6 N1b N 35.0000 -21.0000
7 C1z C 38.6400 -18.9000
8 C1c C 35.0000 -16.4500
9 N1b N 33.8100 -18.9000
10 C1x C 38.6400 -20.3000
11 O1a O 37.3800 -22.3300
12 C5a C 35.0000 -22.3300
13 O2b O 39.9700 -19.2500
14 C1a C 33.8100 -15.7500
15 O1a O 36.1900 -15.7500
16 C1a C 33.8100 -23.0300
17 O5a O 36.1900 -23.0300
18 C5a C 32.6200 -18.2000
19 C1c C 31.4300 -18.9000
20 O5a O 32.6200 -16.8000
21 N1a N 30.1700 -18.2000
22 C1a C 31.4300 -20.2300
23 C1y C 45.2900 -18.7600
24 C1y C 45.7100 -20.0900
25 C1y C 47.1100 -20.0900
26 C1y C 47.5300 -18.7600
27 O2x O 46.4100 -17.9200
28 C1b C 43.9600 -18.2700
29 N4y N 48.8600 -18.4100
30 C8y C 50.0500 -19.1100
31 C8x C 48.8600 -17.0100
32 N5x N 51.3100 -18.4100
33 O5x O 50.0500 -20.5100
34 C8x C 50.0500 -16.3100
35 C8y C 51.3100 -17.0100
36 N1a N 52.5000 -16.3100
37 O1a O 47.9500 -21.2100
38 O1a O 44.8700 -21.2100
39 O2b O 42.9100 -19.1800
40 P1b P 41.5100 -19.1800
41 O1c O 41.5100 -17.7800
42 O1c O 41.5100 -20.5800
43 C6a C 38.6400 -17.5000
44 O6a O 39.8300 -16.8000
45 O6a O 37.8700 -16.6600
BOND 47
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 7 13 1 #Up
13 8 14 1
14 8 15 1 #Up
15 12 16 1
16 12 17 2
17 7 10 1
18 9 18 1
19 18 19 1
20 18 20 2
21 19 21 1 #Up
22 19 22 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 23 27 1
28 23 28 1 #Up
29 29 30 1
30 29 31 1
31 30 32 1
32 30 33 2
33 31 34 2
34 32 35 2
35 35 36 1
36 34 35 1
37 26 29 1 #Up
38 25 37 1 #Down
39 24 38 1 #Down
40 28 39 1
41 39 40 1
42 40 41 2
43 40 42 1
44 40 13 1
45 7 43 1 #Down
46 43 44 1
47 43 45 2
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