ATOM 22
1 C8x C 22.3210 -18.4891
2 C8x C 22.3006 -19.8733
3 C8x C 23.4903 -20.5831
4 C8x C 23.5310 -17.8073
5 C8y C 24.7277 -18.5244
6 C8y C 24.7074 -19.9085
7 C1x C 27.9970 -16.6657
8 C1x C 26.6098 -16.8057
9 N1y N 28.8077 -17.7810
10 C1y C 28.2396 -19.0477
11 C1x C 29.0557 -20.1793
12 C1x C 30.1918 -17.6388
13 C1y C 30.4400 -20.0304
14 C1c C 31.2434 -21.1517
15 C2b C 32.6215 -21.0127
16 C1x C 31.0152 -18.6949
17 C1b C 30.6363 -22.4736
18 C8y C 26.8593 -19.2018
19 C8y C 26.0364 -18.0912
20 N4x N 26.0515 -20.3234
21 O1a O 29.1733 -22.4633
22 C2a C 33.6515 -22.0395
BOND 25
1 9 10 1
2 10 11 1
3 11 13 1
4 16 12 1
5 12 9 1
6 5 6 2
7 1 2 1
8 13 14 1
9 14 15 1
10 18 10 1
11 13 16 1
12 9 7 1
13 14 17 1 #Up
14 7 8 1
15 8 19 1
16 2 3 2
17 18 19 2
18 19 5 1
19 6 20 1
20 20 18 1
21 3 6 1
22 17 21 1
23 5 4 1
24 4 1 2
25 15 22 2
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