ATOM 19
1 C1y C 27.4034 -17.4067
2 C1y C 28.6198 -16.7199
3 C1y C 27.3858 -18.8036
4 C5x C 26.1986 -16.7025
5 N1y N 29.8247 -17.4416
6 C1x C 28.9341 -15.3522
7 O2x O 26.1869 -19.5020
8 C1x C 28.5906 -19.5078
9 C8y C 24.9821 -17.4010
10 O5x O 26.1869 -15.2940
11 C1x C 29.8071 -18.8269
12 C1x C 30.8840 -16.5104
13 C1x C 30.3310 -15.2184
14 C8y C 24.9762 -18.7977
15 C8y C 23.7716 -16.6966
16 C8x C 23.7716 -19.4961
17 C8x C 22.5551 -17.4010
18 C1a C 23.8299 -15.2940
19 C8x C 22.5551 -18.7977
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 9 15 1
15 14 16 1
16 15 17 2
17 15 18 1
18 16 19 2
19 8 11 1
20 9 14 2
21 12 13 1
22 17 19 1
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