ATOM 28
1 C1z C 29.3300 -21.4900
2 C1y C 28.1400 -20.7900
3 C1y C 30.5900 -20.8600
4 C1y C 29.3300 -22.9600
5 C1a C 29.3300 -20.1600
6 C1z C 27.0200 -21.4900
7 C1y C 28.1400 -19.3900
8 C1y C 30.5900 -19.4600
9 C1x C 31.7800 -21.5600
10 C1x C 28.1400 -23.6600
11 O7x O 30.5900 -23.6600
12 C1y C 27.0200 -22.9600
13 C5x C 25.8300 -20.7900
14 C1a C 27.0200 -20.0900
15 C1y C 29.3300 -18.6200
16 C7x C 31.7800 -23.0300
17 C1y C 25.8300 -23.6600
18 C2y C 24.5000 -21.4900
19 O5x O 25.8300 -19.3900
20 O6a O 33.0400 -23.7300
21 C2x C 24.5000 -22.9600
22 C1a C 25.8300 -25.0600
23 O2a O 23.3100 -20.7900
24 C1a C 31.7800 -18.6900
25 O1a O 27.2300 -18.3400
26 O2a O 29.3300 -17.2900
27 C1a C 22.1200 -21.4900
28 C1a C 30.5424 -16.5900
BOND 31
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
31 26 28 1
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