ATOM 19
1 C8y C 24.3531 -15.5106
2 C8y C 24.3471 -16.9112
3 N5y N 25.5727 -14.8103 #+
4 C8x C 23.1391 -14.8046
5 C8y C 25.5611 -17.6174
6 C8x C 23.1391 -17.6115
7 C8y C 26.7865 -15.5223
8 O3a O 25.5785 -13.4157 #-
9 C8x C 21.9254 -15.5106
10 C8x C 26.7807 -16.9229
11 O1a O 25.5551 -19.0121
12 C8x C 21.9254 -16.9112
13 C1b C 28.0004 -14.8279
14 C1b C 29.2025 -15.5340
15 C1b C 30.4163 -14.8396
16 C1b C 31.6243 -15.5457
17 C1b C 32.8382 -14.8513
18 C1b C 34.0403 -15.5573
19 C1a C 35.2542 -14.8630
BOND 20
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 2
10 5 11 1
11 6 12 2
12 7 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 7 10 1
20 9 12 1
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