ATOM 23
1 C8y C 27.5146 -17.5906
2 C8y C 27.5146 -18.9745
3 C8x C 26.3383 -19.6664
4 C8y C 25.0928 -18.9745
5 C8x C 25.0928 -17.5906
6 C8y C 26.3383 -16.8987
7 N2b N 28.5525 -19.8048 #+
8 N2b N 23.9165 -19.6664 #+
9 O3a O 29.3828 -18.4901 #-
10 O3a O 28.5525 -21.1887
11 O3a O 22.7402 -18.9745 #-
12 O3a O 23.9165 -21.0503
13 O7a O 28.8985 -16.8987
14 C7a C 30.4207 -17.5906
15 O7a O 31.5970 -16.8987
16 C1c C 32.7733 -17.5906
17 C1a C 34.0188 -16.8987
18 C1c C 26.3383 -15.5148
19 C1b C 25.0928 -14.8228
20 C1a C 23.9165 -15.5148
21 C1a C 27.5146 -14.8228
22 C1a C 32.7733 -18.9745
23 O6a O 30.4207 -18.7669
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 4 8 1
9 7 9 1
10 7 10 2
11 8 11 1
12 8 12 2
13 1 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 6 18 1
19 18 19 1
20 19 20 1
21 18 21 1
22 16 22 1
23 14 23 2
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