ATOM 44
1 O2x O 31.8500 -25.9700
2 C1y C 31.8500 -27.3700
3 C1y C 33.0400 -28.0700
4 C1y C 34.3000 -27.3700
5 C1y C 34.3000 -25.9700
6 C1y C 33.0400 -25.2700
7 O1a O 35.4900 -28.0700
8 N1b N 35.4900 -25.2700
9 O1a O 33.0400 -29.4700
10 N1b N 30.6600 -28.0700
11 C8y C 29.4000 -27.3700
12 N5x N 29.4000 -25.9700
13 C8x C 28.2100 -25.2700
14 N5x N 27.0200 -25.9700
15 C8y C 27.0200 -27.3700
16 C8y C 28.2100 -28.0700
17 N5x N 25.9700 -28.2800
18 C8x C 26.5300 -29.6100
19 N4x N 27.9300 -29.4700
20 C1c C 33.0400 -23.8700
21 C1b C 31.8500 -23.1700
22 O1a O 31.8500 -21.7700
23 O1a O 34.2300 -23.1700
24 C5a C 36.6800 -25.9700
25 C1b C 37.8700 -25.2700
26 N1b N 39.1300 -25.9700
27 C5a C 40.3200 -25.2700
28 C1b C 41.5100 -25.9700
29 C1b C 42.7700 -25.2700
30 C1b C 43.9600 -25.9700
31 C1b C 45.1500 -25.2700
32 C1b C 46.4100 -25.9700
33 C1b C 47.6000 -25.2700
34 C1b C 48.7900 -25.9700
35 C1b C 50.0500 -25.2700
36 C1b C 51.2400 -25.9700
37 C1b C 52.4300 -25.2700
38 C1b C 53.6900 -25.9700
39 C1b C 54.8800 -25.2700
40 C1c C 56.0700 -25.9700
41 C1a C 57.3300 -25.2700
42 O5a O 36.6800 -27.3700
43 O5a O 40.3200 -23.8700
44 C1a C 56.0700 -27.3700
BOND 46
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1 #Up
8 5 8 1 #Down
9 3 9 1 #Down
10 2 10 1 #Up
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 15 17 1
19 17 18 2
20 18 19 1
21 16 19 1
22 6 20 1 #Up
23 20 21 1
24 21 22 1
25 20 23 1
26 8 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 39 40 1
43 40 41 1
44 24 42 2
45 27 43 2
46 40 44 1
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