ATOM 27
1 C1z C 29.9600 -23.5900
2 C1y C 28.7700 -22.8900
3 C1y C 31.2200 -22.9600
4 C1y C 29.9600 -25.0600
5 C1a C 29.9600 -22.2600
6 C1z C 27.5800 -23.5900
7 C1y C 28.7700 -21.4900
8 C1y C 31.2200 -21.5600
9 C1x C 32.4100 -23.6600
10 C1x C 28.7700 -25.7600
11 O7x O 31.2200 -25.7600
12 C1y C 27.5800 -25.0600
13 C5x C 26.3900 -22.8900
14 C1a C 27.5800 -22.1900
15 C1y C 29.9600 -20.7200
16 C7x C 32.4100 -25.1300
17 C1y C 26.3900 -25.7600
18 C2y C 25.0600 -23.5900
19 O5x O 26.3900 -21.4900
20 O6a O 33.6700 -25.8300
21 C2x C 25.0600 -25.0600
22 C1a C 26.3900 -27.1600
23 O2a O 23.8700 -22.8900
24 C1a C 32.4100 -20.7900
25 O1a O 27.7900 -20.4400
26 O1a O 29.9600 -19.3200
27 C1a C 22.6519 -23.5801
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 6 12 1
12 6 13 1
13 6 14 1 #Up
14 7 15 1
15 9 16 1
16 12 17 1
17 13 18 1
18 13 19 2
19 16 20 2
20 17 21 1
21 17 22 1 #Down
22 8 15 1
23 10 12 1
24 11 16 1
25 18 21 2
26 18 23 1
27 8 24 1 #Down
28 7 25 1 #Down
29 15 26 1 #Up
30 23 27 1
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