ATOM 28
1 C8y C 35.0000 -18.9000
2 C8y C 35.0000 -17.5000
3 C8x C 36.1900 -19.6000
4 C8y C 33.8100 -19.6000
5 N5x N 33.8100 -16.8000
6 C8x C 36.1900 -16.8000
7 C8y C 37.4500 -18.9000
8 N5x N 32.5500 -18.9000
9 N1a N 33.8100 -21.0000
10 C8y C 32.5500 -17.5000
11 C8y C 37.4500 -17.5000
12 O2a O 38.6400 -19.6000
13 N1y N 31.3600 -16.8000
14 O2a O 38.6400 -16.8000
15 C1a C 39.8300 -18.9000
16 C1x C 31.3600 -15.4000
17 C1x C 30.1700 -17.5000
18 C1a C 39.8300 -17.5000
19 C1x C 30.1700 -14.7000
20 C1x C 28.9100 -16.8000
21 N1y N 28.9100 -15.4000
22 C5a C 27.7200 -14.7000
23 C1y C 26.5300 -15.4000
24 O5a O 27.7200 -13.3000
25 C1x C 26.5300 -16.8000
26 O2x O 25.2000 -14.9800
27 C1x C 24.3600 -16.1000
28 C1x C 25.2000 -17.2200
BOND 31
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 4 9 1
9 5 10 2
10 6 11 2
11 7 12 1
12 10 13 1
13 11 14 1
14 12 15 1
15 13 16 1
16 13 17 1
17 14 18 1
18 16 19 1
19 17 20 1
20 19 21 1
21 7 11 1
22 8 10 1
23 20 21 1
24 21 22 1
25 22 23 1
26 22 24 2
27 23 25 1
28 23 26 1
29 26 27 1
30 27 28 1
31 25 28 1
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