ATOM 20
1 C1a C 11.2449 -7.5600
2 N1c N 12.4573 -6.8600
3 C1b C 13.6697 -7.5600
4 C1b C 14.8822 -6.8600
5 O2a O 16.0946 -7.5600
6 C1c C 17.3070 -6.8600
7 C8y C 18.5195 -7.5600
8 C8y C 17.3070 -5.4601
9 C8x C 18.5067 -4.7674
10 C8x C 18.5066 -3.3674
11 C8x C 17.2941 -2.6675
12 C8x C 16.0945 -3.3602
13 C8y C 16.0946 -4.7602
14 C8x C 18.5195 -8.9600
15 C8x C 19.7319 -9.6600
16 C8x C 20.9444 -8.9600
17 C8x C 20.9444 -7.5600
18 C8x C 19.7319 -6.8600
19 C1a C 14.8863 -5.4579
20 C1a C 12.4573 -5.4600
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 6 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 8 13 1
14 7 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 7 18 2
20 13 19 1
21 2 20 1
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