ATOM 27
1 C1y C 25.5500 -22.8900
2 C2y C 25.5500 -24.2900
3 C2x C 26.7400 -24.9900
4 O2x O 28.0000 -24.2900
5 C1y C 28.0000 -22.8900
6 C1y C 26.7400 -22.1900
7 C1x C 26.7400 -20.7900
8 N1y N 25.5500 -20.0900
9 C1y C 24.3600 -20.7900
10 C1x C 24.3600 -22.1900
11 C1x C 25.2700 -18.7600
12 C1x C 23.8700 -18.6200
13 C1z C 23.3100 -19.8800
14 C8y C 21.0700 -19.9500
15 N1x N 21.5600 -21.2800
16 C5x C 22.9600 -21.2800
17 C8y C 22.1900 -19.1100
18 C8x C 21.9800 -17.7100
19 C8x C 20.7200 -17.2200
20 C8x C 19.6000 -18.0600
21 C8x C 19.7400 -19.4600
22 C7a C 24.3347 -24.9851
23 O7a O 23.1463 -24.2923
24 O6a O 24.3289 -26.3897
25 C1a C 21.9499 -24.9765
26 C1a C 29.2066 -22.1800
27 O5x O 23.8216 -22.3835
BOND 31
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 1 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 14 15 1
17 15 16 1
18 13 16 1 #Down
19 13 17 1 #Up
20 14 17 1
21 17 18 2
22 18 19 1
23 19 20 2
24 20 21 1
25 14 21 2
26 2 22 1
27 22 23 1
28 22 24 2
29 23 25 1
30 5 26 1 #Up
31 16 27 2
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