ATOM 22
1 O2x O 31.5074 -16.4418
2 C8y C 30.3400 -17.2062
3 C8x C 30.7039 -18.5586
4 C8x C 32.1036 -18.6236
5 C8x C 32.5982 -17.3113
6 C8y C 26.6148 -16.6040
7 C8y C 26.6334 -15.1930
8 C8x C 25.4164 -14.4642
9 C8x C 24.1838 -15.1527
10 C8x C 24.1593 -16.5599
11 C8y C 25.3692 -17.2883
12 N1c N 27.8187 -17.3327
13 C5a C 29.0483 -16.6504
14 C1a C 25.3449 -18.7053
15 C1c C 27.7902 -18.7459
16 C1a C 26.5535 -19.4341
17 C7a C 29.0045 -19.4747
18 C1a C 27.8687 -14.5080
19 O7a O 28.9820 -20.8915
20 O6a O 30.0500 -18.8955
21 C1a C 27.7503 -21.5760
22 O5a O 29.0712 -15.2432
BOND 23
1 5 1 1
2 2 3 2
3 1 2 1
4 11 6 1
5 6 12 1
6 12 13 1
7 11 14 1
8 12 15 1
9 15 16 1
10 15 17 1
11 6 7 2
12 7 8 1
13 7 18 1
14 8 9 2
15 17 19 1
16 9 10 1
17 17 20 2
18 10 11 2
19 3 4 1
20 19 21 1
21 4 5 2
22 13 22 2
23 13 2 1
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