ATOM 21
1 C8y C 27.2300 -17.5700
2 C8y C 27.2300 -18.9700
3 C8y C 24.7800 -17.4300
4 C8x C 24.7800 -18.8300
5 C8x C 25.8300 -19.6000
6 C8x C 26.0400 -16.8000
7 O7a O 23.5200 -16.7300
8 C7a C 22.3300 -17.3600
9 N1y N 28.4900 -19.4600
10 C1y C 29.3300 -18.4100
11 C1z C 28.5600 -17.2200
12 O2x O 30.7300 -18.2700
13 N1y N 31.3600 -17.0100
14 C1x C 30.5900 -15.8900
15 C1x C 29.1900 -15.9600
16 C1a C 27.7900 -16.0300
17 C1a C 28.8400 -20.7900
18 N1b N 21.1400 -16.5900
19 C1a C 19.8800 -17.2200
20 O6a O 22.3300 -18.7600
21 C1a C 32.7600 -17.0100
BOND 23
1 2 9 1
2 9 10 1
3 1 6 1
4 6 3 2
5 3 7 1
6 10 12 1
7 12 13 1
8 13 14 1
9 14 15 1
10 15 11 1
11 1 2 2
12 11 16 1 #Up
13 7 8 1
14 9 17 1
15 3 4 1
16 4 5 2
17 8 18 1
18 5 2 1
19 18 19 1
20 10 11 1
21 8 20 2
22 11 1 1
23 13 21 1
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