 ATOM 26
1 C8y C 21.2800 -17.4300
2 N1y N 22.5400 -16.8000
3 C5x C 23.8000 -17.3600
4 C1y C 24.1500 -18.6900
5 C8y C 21.0700 -18.8300
6 N2x N 23.3800 -19.8800
7 C2y C 21.9800 -19.8800
8 C8x C 20.2300 -16.5200
9 C8x C 18.9000 -17.0100
10 C8y C 18.6900 -18.3400
11 C8x C 19.7400 -19.2500
12 X Cl 17.3600 -18.8300
13 C8y C 21.4200 -21.1400
14 C8x C 20.0200 -21.1400
15 C8x C 19.3200 -22.4000
16 C8x C 20.0900 -23.5900
17 C8x C 21.4200 -23.5900
18 C8x C 22.1200 -22.3300
19 C1a C 22.5400 -15.4000
20 O5x O 24.8500 -16.4500
21 O7a O 25.5500 -18.9700
22 C7a C 26.7400 -18.2700
23 N1c N 27.9300 -18.9700
24 O6a O 26.7400 -16.8700
25 C1a C 29.1481 -18.2799
26 C1a C 27.9186 -20.3700
BOND 28
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 2
8 1 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 5 11 2
13 10 12 1
14 7 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 13 18 2
21 2 19 1
22 3 20 2
23 4 21 1
24 22 23 1
25 22 21 1
26 22 24 2
27 23 25 1
28 23 26 1
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