ATOM 47
1 C8y C 5.7400 -16.4500
2 C1b C 7.0000 -15.7500
3 C5a C 8.1900 -16.4500
4 N1b N 9.3800 -15.7500
5 C1c C 10.7100 -16.4500
6 C5a C 11.9000 -15.7500
7 N1b N 13.0900 -16.4500
8 C1b C 14.3500 -15.7500
9 C1b C 15.5400 -16.4500
10 C1b C 16.7300 -15.7500
11 C1b C 17.9200 -16.4500
12 C8y C 4.4800 -15.8900
13 C8y C 3.5700 -16.9400
14 N4x N 4.2700 -18.1300
15 C8x C 5.6000 -17.8500
16 C8y C 4.0600 -14.5600
17 C8x C 2.6600 -14.2800
18 C8x C 1.7500 -15.3300
19 C8x C 2.1700 -16.6600
20 O5a O 8.1900 -17.8500
21 C1b C 10.7100 -17.8500
22 C5a C 11.9000 -18.5500
23 N1a N 11.9000 -19.9500
24 O5a O 13.0900 -18.0600
25 O5a O 11.9000 -14.3500
26 C1b C 19.1800 -15.7500
27 N1b N 20.3700 -16.4500
28 C1b C 21.5600 -15.7500
29 C1b C 22.8900 -16.4500
30 C1b C 24.0800 -15.7500
31 N1b N 25.3400 -16.4500
32 C1b C 26.5300 -15.7500
33 C1b C 27.7200 -16.4500
34 C1b C 28.9100 -15.7500
35 N1b N 30.1000 -16.4500
36 C5a C 31.2900 -15.7500
37 C1c C 32.4800 -16.4500
38 C1b C 33.6700 -15.7500
39 C1b C 34.9300 -16.4500
40 C1b C 36.1200 -15.7500
41 N1b N 37.3100 -16.4500
42 C2c C 38.5000 -15.7500
43 N1a N 39.6900 -16.4500
44 O1a O 4.9700 -13.5100
45 O5a O 31.2900 -14.3500
46 N1a N 32.4800 -17.8500
47 N2a N 38.5000 -14.3500
BOND 48
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 1 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 1 15 2
16 12 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 13 19 2
21 3 20 2
22 5 21 1
23 21 22 1
24 22 23 1
25 22 24 2
26 6 25 2
27 11 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 37 38 1
40 38 39 1
41 39 40 1
42 40 41 1
43 41 42 1
44 42 43 1
45 16 44 1
46 36 45 2
47 37 46 1
48 42 47 2
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