ATOM 28
1 C1z C 25.7600 -22.6100
2 C1x C 25.7600 -20.3000
3 C1x C 24.9200 -21.4200
4 C8x C 21.9100 -23.0300
5 C8x C 21.9100 -24.4300
6 C8x C 23.1700 -25.2000
7 C8x C 23.1700 -22.3300
8 C8y C 24.3600 -23.0300
9 C8y C 24.3600 -24.4300
10 N1x N 25.7600 -24.8500
11 C5x C 26.6000 -23.7300
12 N1y N 27.0900 -20.7200
13 C1y C 27.0900 -22.1900
14 C1x C 28.3500 -22.8900
15 C1x C 28.3500 -20.0900
16 C1y C 29.5400 -20.7900
17 C1y C 29.5400 -22.1900
18 C2c C 30.8000 -22.9600
19 C2b C 31.9900 -22.2600
20 C7a C 30.8000 -24.3600
21 O7a O 31.9900 -25.0600
22 C1a C 31.9900 -26.4600
23 O6a O 29.5400 -25.0600
24 O2a O 31.9900 -20.7900
25 C1a C 33.2500 -20.0900
26 C1b C 30.8000 -20.0900
27 C1a C 30.8000 -18.6200
28 O5x O 27.5800 -24.5700
BOND 31
1 13 14 1
2 14 17 1
3 16 15 1
4 15 12 1
5 8 7 1
6 7 4 2
7 3 1 1
8 16 17 1
9 17 18 1
10 18 19 2
11 1 13 1
12 18 20 1
13 12 2 1
14 20 21 1
15 8 9 2
16 21 22 1
17 9 10 1
18 20 23 2
19 10 11 1
20 19 24 1
21 1 11 1 #Down
22 24 25 1
23 1 8 1 #Up
24 16 26 1 #Down
25 2 3 1
26 26 27 1
27 4 5 1
28 5 6 2
29 6 9 1
30 11 28 2
31 12 13 1
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