ATOM 21
1 C1y C 26.9500 -22.8900
2 C2y C 28.2800 -23.1700
3 C8y C 25.9000 -23.7300
4 C1x C 28.1400 -24.0100
5 C1y C 28.9100 -24.4300
6 C2x C 29.1200 -22.0500
7 C8y C 25.9000 -25.1300
8 C8x C 24.7100 -23.0300
9 N1y N 28.2800 -25.6900
10 C1x C 30.3100 -24.5700
11 C1y C 30.4500 -22.1900
12 C1x C 26.9500 -25.9700
13 C8x C 24.7100 -25.7600
14 C8y C 23.5200 -23.7300
15 C1y C 31.0800 -23.4500
16 O1a O 31.2900 -21.0700
17 C8y C 23.5200 -25.1300
18 O2x O 22.1900 -23.3100
19 O1a O 32.4100 -23.5200
20 O2x O 22.1900 -25.5500
21 C1x C 21.3500 -24.4300
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 9 4 1 #Down
9 5 10 1
10 6 11 1
11 7 12 1
12 7 13 1
13 8 14 2
14 10 15 1
15 11 16 1 #Down
16 13 17 2
17 14 18 1
18 15 19 1 #Down
19 17 20 1
20 18 21 1
21 5 9 1
22 9 12 1
23 11 15 1
24 14 17 1
25 20 21 1
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