ATOM 20
1 C8x C 29.6996 -16.9046
2 C8y C 28.4468 -16.2750
3 C8y C 27.2831 -18.4348
4 C8y C 27.2830 -17.0360
5 C8y C 26.0428 -16.4010
6 N4y N 26.1832 -19.1983
7 C8y C 24.8659 -18.5562
8 C8y C 24.8724 -17.1609
9 C8x C 23.6314 -16.5216
10 C8x C 22.4538 -17.2777
11 C8x C 22.4471 -18.6731
12 C8x C 23.7583 -19.3123
13 C8y C 29.7056 -18.3029
14 C8y C 28.5936 -19.0691
15 C8x C 28.9596 -20.4284
16 C8x C 30.3636 -20.4347
17 O2x O 30.8679 -19.1928
18 O1a O 28.3905 -14.8761
19 O5x O 26.0538 -15.0028
20 C1a C 26.1945 -20.6042
BOND 23
1 2 4 1
2 3 4 2
3 7 8 2
4 8 9 1
5 9 10 2
6 10 11 1
7 11 12 2
8 12 7 1
9 4 5 1
10 5 8 1
11 7 6 1
12 6 3 1
13 3 14 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 13 1
19 2 18 1
20 13 1 1
21 5 19 2
22 1 2 2
23 6 20 1
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