ATOM 28
1 C8y C 28.2100 -15.3300
2 N1y N 29.4700 -14.7700
3 C1y C 30.7300 -15.4000
4 C1x C 31.0100 -16.7300
5 C8y C 27.8600 -16.7300
6 N2x N 30.1700 -17.8500
7 C2y C 28.7700 -17.8500
8 C8x C 27.1600 -14.4200
9 C8x C 25.8300 -14.8400
10 C8x C 25.5500 -16.1700
11 C8x C 26.5300 -17.1500
12 C8y C 28.1400 -19.1100
13 C8x C 26.7400 -19.1100
14 C8x C 26.0400 -20.3000
15 C8x C 26.7400 -21.5600
16 C8x C 28.1400 -21.5600
17 C8y C 28.8400 -20.3000
18 X F 30.2400 -20.3000
19 C1a C 29.4700 -13.3700
20 C1b C 31.9200 -14.7000
21 N1b N 33.1800 -15.4000
22 C5a C 34.3700 -14.7000
23 C8y C 35.5600 -15.4000
24 O5a O 34.3700 -13.3000
25 C8x C 35.5600 -16.8000
26 S2x S 36.8900 -17.2200
27 C8x C 37.7300 -16.1000
28 C8x C 36.8900 -14.9800
BOND 31
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 6 7 2
8 1 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 5 11 1
13 7 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 17 18 1
21 2 19 1
22 3 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 22 24 2
27 23 25 2
28 25 26 1
29 26 27 1
30 27 28 2
31 23 28 1
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