ATOM 18
1 C1a C 21.5600 -20.5800
2 C2b C 22.7724 -19.8800
3 C2b C 23.9849 -20.5800
4 C2b C 25.1973 -19.8800
5 C2b C 26.4097 -20.5800
6 C2b C 27.6073 -19.8885
7 C2b C 29.0073 -19.8885
8 C1b C 30.1924 -20.5800
9 C1b C 31.4049 -19.8800
10 C2b C 32.6173 -20.5800
11 C2b C 33.8297 -19.8800
12 C5a C 35.0422 -20.5800
13 N1b N 36.2753 -19.8678
14 O5a O 35.0423 -21.9797
15 C1b C 37.4815 -20.5640
16 C1c C 38.6633 -19.8815
17 C1a C 39.8576 -20.5710
18 C1a C 38.6632 -18.4802
BOND 17
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 1
13 12 14 2
14 13 15 1
15 15 16 1
16 16 17 1
17 16 18 1
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