ATOM 18
1 C8y C 28.4843 -19.1802
2 C8y C 29.7024 -18.4807
3 C8y C 28.4783 -20.5850
4 C8x C 27.2776 -18.4807
5 C8y C 30.9091 -19.1976
6 C8x C 29.7141 -17.0875
7 C8x C 27.2776 -21.2788
8 C8y C 29.6908 -21.2846
9 C8y C 26.0592 -19.1802
10 N4x N 30.9091 -20.5967
11 C8x C 32.1275 -18.5040
12 C8x C 30.9325 -16.3996
13 C8y C 26.0649 -20.5850
14 O5x O 29.6791 -22.6837
15 O2x O 24.7242 -18.7488
16 C8x C 32.1392 -17.1049
17 O2x O 24.7301 -21.0165
18 C1x C 23.9023 -19.8855
BOND 21
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 8 14 2
14 9 15 1
15 11 16 2
16 13 17 1
17 15 18 1
18 8 10 1
19 9 13 2
20 12 16 1
21 17 18 1
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