ATOM 47
1 C8y C 29.1200 -23.1700
2 N4y N 28.0700 -22.4700
3 C8y C 30.3800 -22.2600
4 N5x N 29.1200 -24.6400
5 C1y C 26.8100 -22.8900
6 C8x C 28.5600 -21.0700
7 N5x N 30.0300 -21.0700
8 C8y C 31.6400 -22.8200
9 C8y C 30.5900 -25.2000
10 O2x O 25.6200 -21.9800
11 C1y C 26.3200 -24.1500
12 N4x N 31.7800 -24.2900
13 O5x O 32.7600 -21.9800
14 N1a N 30.5900 -26.6000
15 C1y C 24.5700 -22.8200
16 C1y C 24.9900 -24.1500
17 O1a O 27.1600 -25.2700
18 C1b C 23.2400 -22.4000
19 O1a O 24.5000 -25.4100
20 O2b O 23.2400 -21.0000
21 P1b P 23.2400 -19.6000
22 O2b O 23.2400 -18.2000
23 O1c O 24.6400 -19.6000
24 O1c O 21.8400 -19.6000
25 C8y C 27.8600 -15.9600
26 N4y N 26.8100 -15.2600
27 C8y C 29.1200 -15.0500
28 N5x N 27.8600 -17.4300
29 C1y C 25.5500 -15.6800
30 C8x C 27.3000 -13.8600
31 N5x N 28.7700 -13.8600
32 C8y C 30.3800 -15.6100
33 C8y C 29.3300 -17.9900
34 O2x O 24.3600 -14.7700
35 C1y C 25.0600 -16.9400
36 N4x N 30.5200 -17.0800
37 O5x O 31.5000 -14.7700
38 N1a N 29.3300 -19.3900
39 C1y C 23.3100 -15.6100
40 C1y C 23.7300 -16.9400
41 O1a O 25.9000 -18.0600
42 C1b C 21.9800 -15.1900
43 O2b O 20.9300 -16.1000
44 P1b P 19.5300 -16.1000
45 O1c O 19.5300 -17.5000
46 O1c O 18.1300 -16.1000
47 O1c O 19.5300 -14.7000
BOND 52
1 1 2 1
2 1 3 2
3 1 4 1
4 5 2 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 8 12 1
12 8 13 2
13 9 14 1
14 10 15 1
15 11 16 1
16 11 17 1 #Down
17 15 18 1 #Up
18 16 19 1 #Down
19 6 7 2
20 9 12 1
21 15 16 1
22 18 20 1
23 20 21 1
24 21 22 1
25 21 23 2
26 21 24 1
27 25 26 1
28 25 27 2
29 25 28 1
30 29 26 1 #Up
31 26 30 1
32 27 31 1
33 27 32 1
34 28 33 2
35 29 34 1
36 29 35 1
37 32 36 1
38 32 37 2
39 33 38 1
40 34 39 1
41 35 40 1
42 35 41 1 #Down
43 39 42 1 #Up
44 40 22 1 #Down
45 42 43 1
46 43 44 1
47 44 45 1
48 44 46 1
49 44 47 2
50 30 31 2
51 33 36 1
52 39 40 1
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