ATOM 45
1 C8x C 10.4522 -18.8022
2 C8y C 10.4522 -20.2016
3 C8x C 11.6642 -20.9014
4 C8x C 12.8761 -20.2016
5 C8y C 12.8761 -18.8022
6 C8y C 11.6642 -18.1025
7 C1b C 14.0898 -18.1025
8 C5a C 15.3018 -18.8022
9 N1b N 16.5137 -18.1025
10 C1c C 17.7256 -18.8022
11 C5a C 18.9375 -18.1025
12 N1b N 20.1495 -18.8022
13 C1b C 21.3613 -18.1025
14 C1b C 22.5733 -18.8022
15 C1b C 23.7852 -18.1025
16 C1b C 24.9972 -18.8022
17 C1b C 26.2091 -18.1025
18 N1b N 27.4210 -18.8022
19 C1b C 28.6330 -18.1025
20 C1b C 29.8449 -18.8022
21 C1b C 31.0568 -18.1025
22 N1b N 32.2688 -18.8022
23 C1b C 33.4807 -18.1025
24 C1b C 34.6925 -18.8022
25 C1b C 35.9045 -18.1025
26 O1a O 9.2403 -20.9014
27 O1a O 11.6642 -16.7031
28 O5a O 15.3018 -20.2016
29 C1b C 17.7256 -20.2016
30 C5a C 18.9402 -20.9030
31 N1a N 20.1542 -20.2020
32 O5a O 18.9402 -22.3007
33 O5a O 18.9375 -16.7031
34 N1b N 37.1335 -18.8022
35 C5a C 38.3454 -18.1025
36 C1c C 39.5573 -18.8022
37 C1b C 40.7693 -18.1025
38 C1b C 41.9812 -18.8022
39 C1b C 43.1931 -18.1025
40 N1b N 44.4052 -18.8022
41 C2c C 45.6171 -18.1025
42 O5a O 38.3454 -16.7031
43 N1a N 39.5573 -20.2016
44 N1a N 46.8343 -18.8054
45 N2a N 45.6171 -16.7032
BOND 45
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 2 26 1
27 6 27 1
28 8 28 2
29 10 29 1 #Down
30 29 30 1
31 30 31 1
32 30 32 2
33 11 33 2
34 25 34 1
35 34 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 39 40 1
41 40 41 1
42 35 42 2
43 36 43 1 #Down
44 41 44 1
45 41 45 2
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