ATOM 21
1 C8y C 26.4687 -17.6771
2 C8y C 25.2531 -18.3842
3 C5a C 27.6841 -18.3842
4 C8x C 26.4687 -16.2746
5 C8y C 24.0319 -17.6771
6 O1a O 25.2531 -19.7808
7 C2b C 28.8938 -17.6888
8 O5a O 27.6841 -19.7808
9 C8x C 25.2531 -15.5733
10 C8y C 24.0319 -16.2746
11 O1a O 22.8222 -18.3784
12 O1a O 22.8222 -15.5733
13 C2b C 30.1263 -18.4033
14 C8y C 31.3172 -17.7183
15 C8x C 32.5044 -18.4065
16 C8y C 33.7181 -17.7086
17 C8y C 33.7205 -16.3086
18 C8x C 32.5333 -15.6204
19 C8x C 31.3196 -16.3183
20 O1a O 34.9481 -15.6026
21 O1a O 34.9462 -18.4207
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 2
10 5 11 1
11 10 12 1
12 9 10 1
13 7 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 17 20 1
22 16 21 1
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