ATOM 17
1 C8y C 28.7735 -15.6691
2 C8y C 26.4578 -15.6573
3 C8y C 28.7383 -16.9407
4 C8x C 29.9166 -14.8992
5 C8y C 26.4811 -16.9931
6 C8x C 25.2912 -15.0100
7 C1y C 27.6593 -17.6406
8 C8x C 29.9749 -17.5880
9 C8x C 31.1006 -15.5524
10 C8x C 25.3378 -17.6814
11 C8x C 24.1421 -15.7040
12 C8y C 31.0540 -16.8881
13 C8x C 24.1655 -17.0339
14 N2b N 32.3023 -17.5356 #+
15 O3a O 32.3317 -18.9307
16 O3a O 33.4958 -16.8125 #-
17 O1a O 27.6515 -19.0324
BOND 19
1 1 3 1
2 1 4 2
3 2 5 2
4 2 6 1
5 3 7 1
6 3 8 2
7 4 9 1
8 5 10 1
9 6 11 2
10 8 12 1
11 10 13 2
12 12 14 1
13 5 7 1
14 9 12 2
15 11 13 1
16 14 15 2
17 1 2 1
18 14 16 1
19 7 17 1
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