ATOM 23
1 C8x C 28.3615 -18.2053
2 C8y C 28.3615 -19.6091
3 C8x C 29.5547 -20.3109
4 C8x C 30.8181 -19.6091
5 C8y C 30.8181 -18.2053
6 C8x C 29.5547 -17.5034
7 N1b N 27.1683 -20.3109
8 S4a S 32.0113 -17.5034
9 N1b N 33.2045 -18.2053
10 C8y C 34.4678 -17.5034
11 C8x C 35.6610 -18.2053
12 C8x C 36.8542 -17.5736
13 C8y C 36.8542 -16.1699
14 C8x C 35.6610 -15.3978
15 C8x C 34.4678 -16.0997
16 O3c O 32.9939 -16.5208
17 O3c O 31.0286 -16.5208
18 C5a C 25.9049 -19.6091
19 C1a C 24.7819 -20.3109
20 O5a O 25.9049 -18.2053
21 N2b N 38.0474 -15.4680 #+
22 O3a O 39.3108 -16.1699 #-
23 O3a O 38.0476 -14.0642
BOND 24
1 3 4 2
2 9 10 1
3 4 5 1
4 5 6 2
5 6 1 1
6 2 7 1
7 10 11 2
8 11 12 1
9 12 13 2
10 13 14 1
11 14 15 2
12 15 10 1
13 1 2 2
14 5 8 1
15 8 16 2
16 2 3 1
17 8 17 2
18 8 9 1
19 7 18 1
20 18 19 1
21 18 20 2
22 13 21 1
23 21 22 1
24 21 23 2
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