ATOM 19
1 C8y C 24.9343 -17.3730
2 C8y C 24.9343 -15.9866
3 N4y N 26.1316 -18.0803
4 C8x C 23.7128 -18.0803
5 C8x C 23.7128 -15.2793
6 C8y C 26.1316 -15.2793
7 C8x C 27.3592 -17.3730
8 C1b C 26.1316 -19.4854
9 C8y C 22.5017 -17.3730
10 C8y C 22.5017 -15.9866
11 C8y C 27.3592 -15.9866
12 O5x O 26.1316 -13.8906
13 O2x O 21.1686 -17.8051
14 O2x O 21.1686 -15.5545
15 C6a C 28.5644 -15.2793
16 C1x C 20.3429 -16.6845
17 O6a O 28.5539 -13.9301
18 O6a O 29.8487 -15.9866
19 C1a C 24.9214 -20.1840
BOND 21
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 1
8 4 9 2
9 5 10 2
10 6 11 1
11 6 12 2
12 9 13 1
13 10 14 1
14 11 15 1
15 13 16 1
16 15 17 2
17 15 18 1
18 7 11 2
19 9 10 1
20 14 16 1
21 8 19 1
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