ATOM 22
1 C8y C 26.0400 -16.3100
2 C1x C 27.0900 -17.0800
3 N1y N 28.4200 -16.8000
4 C1x C 28.9800 -15.5400
5 C8y C 26.0400 -14.9100
6 C1y C 28.4200 -14.3500
7 C1z C 27.0900 -13.8600
8 C1a C 29.4000 -18.1300
9 C8x C 24.8500 -17.0100
10 C8x C 23.6600 -16.3100
11 C8y C 23.6600 -14.9100
12 C8y C 24.8500 -14.2100
13 O2a O 22.5400 -14.2800
14 O2x O 25.2000 -12.6700
15 C1y C 26.6000 -12.6700
16 C1x C 27.2300 -11.4800
17 C1y C 28.6300 -11.4800
18 C2x C 29.3300 -12.6700
19 C2x C 28.6300 -13.8600
20 O1a O 29.3300 -10.2200
21 C1a C 21.3500 -15.0500
22 O1a O 29.8200 -14.3500
BOND 25
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 7 6 1 #Up
8 3 8 1
9 1 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 5 12 1
14 11 13 1
15 12 14 1
16 14 15 1
17 7 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 7 19 1
22 19 18 2
23 17 20 1 #Down
24 13 21 1
25 6 22 1 #Up
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