ATOM 21
1 C8y C 24.3794 -19.2094
2 C8y C 24.3864 -17.8081
3 C8x C 23.1756 -17.0979
4 C8x C 21.9577 -17.7960
5 C8x C 21.9506 -19.1972
6 C8y C 23.1614 -19.9004
7 C8y C 30.4278 -21.2935
8 C8x C 30.4278 -19.8923
9 C8x C 29.2105 -19.1952
10 C8y C 28.0002 -19.8923
11 C8x C 28.0002 -21.2935
12 C8x C 29.2105 -21.9977
13 C5a C 26.8016 -19.2023
14 N1b N 25.5904 -19.8994
15 C1a C 23.1544 -21.3015
16 C1a C 25.6043 -17.1100
17 O5a O 26.7999 -17.8010
18 N1b N 31.6389 -21.9977
19 C5a C 32.8501 -21.3006
20 C1a C 34.0610 -22.0046
21 O5a O 32.8531 -19.8994
BOND 22
1 10 13 1
2 13 14 1
3 14 1 1
4 1 2 2
5 6 15 1
6 2 3 1
7 2 16 1
8 3 4 2
9 13 17 2
10 4 5 1
11 7 18 1
12 5 6 2
13 18 19 1
14 7 8 2
15 19 20 1
16 8 9 1
17 9 10 2
18 10 11 1
19 11 12 2
20 19 21 2
21 12 7 1
22 6 1 1
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