ATOM 23
1 C8x C 25.5228 -17.7563
2 C8y C 25.5228 -19.1287
3 C8x C 26.7113 -19.8150
4 C8y C 27.9000 -19.1287
5 C8y C 27.9000 -17.7563
6 C8y C 26.7113 -17.0701
7 N2b N 29.1068 -19.8257 #+
8 O3a O 29.1131 -21.1872
9 O3a O 30.5666 -19.3510 #-
10 N2b N 24.3343 -19.8150 #+
11 O3a O 23.1624 -19.1382 #-
12 O3a O 24.3342 -21.1872
13 O7a O 29.9989 -16.8535
14 C7a C 29.9989 -15.4810
15 C2b C 31.1874 -14.7948
16 C2c C 32.4038 -15.4972
17 C1a C 33.5805 -14.8179
18 C1a C 32.4037 -16.8641
19 C1c C 26.7113 -15.6977
20 C1b C 25.5046 -15.0050
21 C1a C 24.3287 -15.6880
22 O6a O 29.2179 -14.9293
23 C1a C 27.8825 -15.0194
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 4 7 1
8 7 8 2
9 7 9 1
10 2 10 1
11 10 11 1
12 10 12 2
13 5 13 1
14 13 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 16 18 1
19 6 19 1
20 19 20 1
21 20 21 1
22 14 22 2
23 19 23 1
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