ATOM 33
1 C8y C 12.0400 -16.9400
2 C8y C 12.0400 -18.3400
3 C8x C 10.8500 -16.1700
4 C5a C 13.2300 -16.2400
5 C8x C 10.8500 -18.9700
6 O2a O 13.2300 -19.0400
7 C8y C 9.5900 -16.8700
8 N1b N 14.4200 -16.9400
9 O5a O 13.2300 -14.8400
10 C8x C 9.5900 -18.2700
11 C1a C 13.2300 -20.3700
12 X Cl 8.4000 -16.1700
13 C1b C 15.6800 -16.2400
14 C1b C 16.8700 -16.9400
15 C8y C 18.0600 -16.2400
16 C8x C 18.0600 -14.8400
17 C8x C 19.2500 -16.9400
18 C8x C 19.2500 -14.1400
19 C8x C 20.5100 -16.2400
20 C8y C 20.5100 -14.8400
21 S4a S 21.7000 -14.1400
22 N1b N 22.8900 -14.8400
23 C5a C 24.0800 -14.1400
24 N1b N 25.3400 -14.8400
25 O5a O 24.0800 -12.7400
26 C1y C 26.5300 -14.1400
27 C1x C 26.5300 -12.7400
28 C1x C 27.7200 -14.8400
29 C1x C 27.7200 -12.0400
30 C1x C 28.9100 -14.1400
31 C1x C 28.9100 -12.7400
32 O3c O 22.4000 -12.9276
33 O3c O 21.0000 -12.9276
BOND 35
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 13 14 1
14 14 15 1
15 15 16 2
16 15 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 23 25 2
25 24 26 1
26 26 27 1
27 26 28 1
28 27 29 1
29 28 30 1
30 29 31 1
31 7 10 2
32 19 20 1
33 30 31 1
34 21 32 2
35 21 33 2
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