ATOM 25
1 C8x C 16.5900 -19.9500
2 C8x C 16.5900 -21.3500
3 C8x C 17.7800 -22.0500
4 C8y C 18.9700 -21.3500
5 C8y C 18.9700 -19.9500
6 C8x C 17.7800 -19.2500
7 N1x N 20.3000 -21.7700
8 C5x C 21.1400 -20.6500
9 C2y C 20.3000 -19.4600
10 C2y C 20.7900 -18.2000
11 C2x C 22.1200 -17.7100
12 C2y C 22.1200 -16.3100
13 N1x N 20.7900 -15.8900
14 C5x C 19.9500 -17.0100
15 C8y C 23.2400 -15.5400
16 C8x C 24.5700 -15.9600
17 N4x N 25.4100 -14.8400
18 C8y C 24.5700 -13.6500
19 C8y C 23.2400 -14.1400
20 C8x C 24.8500 -12.3200
21 C8x C 23.8000 -11.4100
22 C8x C 22.4700 -11.8300
23 C8x C 22.1900 -13.1600
24 O5x O 18.5500 -17.0100
25 O5x O 22.5399 -20.6702
BOND 29
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 9 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 1
16 10 14 1
17 12 15 1
18 15 16 2
19 16 17 1
20 17 18 1
21 18 19 2
22 15 19 1
23 18 20 1
24 20 21 2
25 21 22 1
26 22 23 2
27 19 23 1
28 14 24 2
29 8 25 2
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