ATOM 31
1 C1x C 23.5900 -15.4000
2 N1y N 23.5900 -14.0000
3 C1x C 24.7800 -13.3000
4 C1x C 26.0400 -14.0000
5 S2x S 26.0400 -15.4000
6 C1x C 24.7800 -16.1000
7 C5a C 22.4000 -13.3000
8 C8y C 21.2100 -14.0000
9 O5a O 22.4000 -11.9000
10 C8x C 21.2100 -15.4000
11 C8x C 19.9500 -16.1000
12 C8y C 18.7600 -15.4000
13 N5x N 18.7600 -14.0000
14 C8x C 19.9500 -13.3000
15 O2a O 17.5700 -16.1000
16 C1b C 16.3800 -15.4000
17 C8y C 15.1900 -16.1000
18 C8y C 15.1900 -17.5000
19 N5x N 13.8600 -17.9900
20 O2x O 13.0200 -16.8700
21 C8y C 13.7900 -15.6800
22 C1a C 13.3700 -14.3500
23 C8y C 16.3800 -18.2700
24 C8x C 17.5700 -17.5700
25 C8x C 18.8300 -18.2700
26 C8y C 18.8300 -19.6700
27 C8x C 17.5700 -20.3700
28 C8x C 16.3800 -19.6700
29 X F 20.0200 -20.3700
30 O3c O 26.0400 -16.8000
31 O3c O 27.2300 -14.7000
BOND 34
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 1
9 7 9 2
10 8 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 8 14 1
16 12 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 1
23 17 21 2
24 21 22 1
25 18 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 23 28 1
32 26 29 1
33 5 30 2
34 5 31 2
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