ATOM 23
1 C8y C 24.3600 -16.7300
2 N1x N 25.2700 -17.7800
3 C1y C 26.6700 -17.7800
4 C1y C 27.5100 -16.5900
5 C8y C 24.6400 -15.3300
6 N1y N 27.1600 -15.2600
7 C5x C 25.8300 -14.7000
8 C8y C 23.0300 -17.1500
9 C8y C 21.9800 -16.2400
10 C8x C 22.2600 -14.8400
11 C8x C 23.5900 -14.4200
12 C2x C 28.3500 -14.4900
13 C2y C 29.4000 -15.4000
14 C1x C 28.9100 -16.5900
15 O5x O 25.8300 -13.3000
16 C1a C 20.6500 -16.6600
17 O1a O 22.7500 -18.4800
18 O1a O 27.3000 -19.0400
19 C2b C 30.8000 -15.4000
20 C2b C 31.5000 -14.2100
21 C5a C 32.9000 -14.2100
22 N1a N 33.6000 -12.9500
23 O5a O 33.6000 -15.4000
BOND 25
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 1
8 1 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 5 2
13 6 12 1
14 12 13 2
15 13 14 1
16 4 14 1
17 7 15 2
18 9 16 1
19 8 17 1
20 3 18 1
21 13 19 1
22 19 20 2
23 20 21 1
24 21 22 1
25 21 23 2
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