ATOM 21
1 C1y C 22.1900 -17.7800
2 C1y C 21.0000 -17.1500
3 C1y C 23.3100 -17.0800
4 C1x C 22.1900 -19.1800
5 C1z C 19.8100 -17.7800
6 C1x C 21.0000 -15.7500
7 C1z C 23.3100 -15.7500
8 C1x C 25.6900 -17.0800
9 C2x C 21.0000 -19.8100
10 C2y C 19.8100 -19.1100
11 C1x C 18.6900 -17.1500
12 C1a C 19.8100 -16.3100
13 C1x C 22.1900 -15.0500
14 C5x C 24.5000 -15.0500
15 C1a C 23.2400 -14.0700
16 C1x C 25.6900 -15.7500
17 C1x C 18.6900 -19.8100
18 C1x C 17.5000 -17.7800
19 O5x O 24.5000 -13.7200
20 C5x C 17.5000 -19.1100
21 O5x O 16.3800 -19.8100
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
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 14 19 2
19 17 20 1
20 20 21 2
21 7 13 1
22 9 10 2
23 14 16 1
24 18 20 1
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