ATOM 47
1 C1y C 25.0600 -17.4300
2 N4y N 26.1800 -15.1900
3 O2x O 23.9400 -16.5900
4 C1y C 24.7100 -18.6900
5 C8y C 24.9900 -14.4900
6 C8x C 27.3700 -14.4900
7 C1y C 22.8900 -17.4300
8 C1y C 23.3100 -18.6900
9 O1a O 25.4800 -19.8100
10 N4x N 24.9900 -13.1600
11 O5x O 23.8000 -15.1900
12 C8x C 27.3700 -13.1600
13 C1b C 21.6300 -17.0100
14 O1a O 22.5400 -19.8100
15 C8y C 26.1800 -12.4600
16 O2b O 21.2800 -15.6100
17 O5x O 26.1800 -11.0600
18 P1b P 19.8800 -15.6100
19 O2c O 18.5500 -15.6100
20 O1c O 19.8800 -17.0100
21 O1c O 19.8800 -14.2800
22 P1b P 17.1500 -15.6100
23 O2b O 15.8200 -15.6100
24 O1c O 17.1500 -17.0100
25 O1c O 17.1500 -14.2800
26 C1y C 14.6300 -16.3100
27 C1y C 14.6300 -17.7100
28 O2x O 13.4400 -15.6100
29 C1y C 13.4400 -18.4100
30 N1b N 15.8200 -18.4100
31 C1y C 12.2500 -16.3100
32 C1y C 12.2500 -17.7100
33 O1a O 13.4400 -19.7400
34 C1a C 11.0600 -15.6100
35 N1b N 11.0600 -18.4100
36 C5a C 15.8200 -19.8100
37 C1a C 14.9100 -20.9300
38 O5a O 16.9400 -20.5100
39 C5a C 9.8700 -17.7100
40 C1b C 8.6800 -18.4100
41 C1b C 7.4900 -17.7100
42 C5a C 6.3000 -18.4100
43 O5a O 9.8700 -16.3100
44 C6a C 5.1100 -17.7100
45 O6a O 3.9200 -18.4100
46 O5a O 6.3000 -19.8100
47 O6a O 5.1100 -16.3100
BOND 49
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1 #Up
13 8 14 1 #Down
14 10 15 1
15 13 16 1
16 15 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 26 23 1 #Down
26 26 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 29 32 1
32 29 33 1 #Up
33 31 34 1 #Up
34 32 35 1 #Up
35 7 8 1
36 12 15 1
37 31 32 1
38 30 36 1
39 36 37 1
40 36 38 2
41 35 39 1
42 39 40 1
43 40 41 1
44 41 42 1
45 39 43 2
46 42 44 1
47 44 45 1
48 42 46 2
49 44 47 2
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