ATOM 21
1 C1y C 26.7400 -17.6400
2 C1y C 26.2500 -16.3100
3 C1z C 25.5500 -18.4800
4 O2x O 26.9500 -19.0400
5 C8y C 27.5100 -15.6100
6 O7x O 24.8500 -16.3100
7 C7x C 24.4300 -17.6400
8 C1a C 25.5500 -19.8800
9 C8y C 27.5100 -14.2100
10 C8x C 28.7000 -16.3100
11 O6a O 23.1000 -18.0600
12 C8x C 28.7000 -13.5100
13 O2a O 26.3200 -13.5100
14 C8y C 29.8900 -15.6100
15 C8y C 29.8900 -14.2100
16 C1a C 25.0600 -14.2100
17 C8x C 31.1500 -16.3100
18 O7x O 31.1500 -13.5100
19 C8x C 32.3400 -15.6100
20 C8y C 32.3400 -14.2100
21 O6a O 33.5300 -13.5100
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 5 9 1
9 5 10 2
10 7 11 2
11 9 12 2
12 9 13 1
13 10 14 1
14 12 15 1
15 13 16 1
16 14 17 1
17 15 18 1
18 17 19 2
19 18 20 1
20 20 21 2
21 3 4 1
22 6 7 1
23 14 15 2
24 19 20 1
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