ATOM 33
1 C8x C 34.4400 -17.6400
2 C8x C 34.4400 -19.0400
3 C8x C 33.2500 -19.7400
4 C8y C 31.9900 -19.0400
5 C8y C 31.9900 -17.6400
6 C8y C 33.2500 -16.9400
7 C7a C 33.2500 -15.5400
8 O7a O 34.4400 -14.8400
9 O6a O 32.0600 -14.8400
10 S4a S 30.8000 -16.9400
11 N1b N 29.5400 -16.2400
12 O3c O 31.5000 -15.7500
13 O3c O 30.1000 -18.1300
14 C5a C 28.3500 -16.9400
15 N1b N 27.1600 -16.2400
16 C8y C 25.9700 -16.9400
17 N5x N 25.9700 -18.3400
18 C8y C 24.7100 -19.0400
19 N5x N 23.5200 -18.3400
20 C8y C 23.5200 -16.9400
21 N5x N 24.7100 -16.2400
22 C1a C 35.6300 -15.5400
23 C1a C 30.8000 -19.7400
24 O5a O 28.3500 -18.3400
25 O2a O 24.7100 -20.4400
26 C1b C 23.5200 -21.1400
27 C1d C 22.2600 -20.4400
28 X F 21.1400 -21.1400
29 X F 22.2600 -19.0400
30 X F 21.0700 -19.7400
31 N1c N 22.3300 -16.2400
32 C1a C 21.1400 -16.9400
33 C1a C 22.3300 -14.8400
BOND 34
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 7 8 1
9 7 9 2
10 5 10 1
11 10 11 1
12 10 12 2
13 10 13 2
14 11 14 1
15 14 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 8 22 1
24 4 23 1
25 14 24 2
26 18 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 27 29 1
31 27 30 1
32 20 31 1
33 31 32 1
34 31 33 1
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