ATOM 45
1 C8y C 11.9000 -19.6000
2 C8x C 11.9000 -21.0000
3 C8y C 13.1124 -21.7000
4 C8y C 14.3249 -21.0000
5 C8y C 14.3249 -19.6000
6 O7x O 13.1124 -18.9000
7 C8x C 15.5373 -21.7000
8 C8x C 16.7497 -21.0000
9 C8y C 16.7497 -19.6000
10 C8x C 15.5373 -18.9000
11 O6a O 10.6876 -18.9000
12 C1a C 13.1124 -23.0998
13 N1b N 17.9473 -18.9085
14 C1c C 19.1356 -19.5945
15 C5a C 20.3264 -18.9069
16 N1b N 21.5160 -19.5937
17 C5a C 22.7061 -18.9065
18 C1c C 23.8962 -19.5935
19 C1b C 25.0861 -18.9063
20 C1b C 26.2762 -19.5935
21 C1b C 19.1357 -20.9998
22 C1b C 20.3289 -21.6887
23 C1b C 20.3289 -23.0887
24 N1b N 21.5242 -23.7791
25 C1b C 27.4661 -18.9063
26 N1b N 28.6562 -19.5934
27 C2c C 29.8460 -18.9063
28 N1a N 31.0362 -19.5934
29 O5a O 20.3265 -17.5003
30 O5a O 22.7061 -17.5002
31 N1b N 23.8965 -20.9997
32 C7a C 25.0891 -21.6883
33 O7a O 26.2746 -21.0037
34 C1b C 27.4669 -21.6921
35 O6a O 25.0894 -23.0997
36 C8y C 27.4669 -23.0921
37 C8x C 26.2310 -23.8059
38 C8x C 26.2311 -25.2059
39 C8x C 27.4436 -25.9058
40 C8x C 28.6796 -25.1920
41 C8x C 28.6794 -23.7920
42 C2c C 21.5242 -25.1791
43 N2a N 20.2771 -25.8991
44 N1a N 22.7194 -25.8697
45 N2a N 29.8460 -17.5002
BOND 47
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 1 11 2
13 3 12 1
14 9 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 14 21 1 #Down
23 21 22 1
24 22 23 1
25 23 24 1
26 20 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 15 29 2
31 17 30 2
32 18 31 1 #Down
33 31 32 1
34 32 33 1
35 33 34 1
36 32 35 2
37 34 36 1
38 36 37 2
39 37 38 1
40 38 39 2
41 39 40 1
42 40 41 2
43 36 41 1
44 24 42 1
45 42 43 2
46 42 44 1
47 27 45 2
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