ATOM 27
1 C8x C 34.4400 -15.4700
2 C8x C 34.4400 -16.8700
3 C8x C 33.2500 -17.5700
4 C8y C 32.0600 -16.8700
5 C8y C 32.0600 -15.4700
6 C8x C 33.2500 -14.7700
7 C7a C 30.8000 -14.7700
8 O7a O 29.6100 -15.4700
9 O6a O 30.8000 -13.3000
10 C1b C 28.4200 -14.7700
11 C1a C 27.2300 -15.4700
12 C8y C 25.9700 -18.0600
13 N5x N 25.9700 -19.4600
14 C8y C 24.7800 -20.1600
15 C8x C 23.5900 -19.4600
16 C8y C 23.5900 -18.0600
17 N5x N 24.7800 -17.3600
18 X Cl 22.3300 -17.3600
19 O2a O 24.7800 -21.5600
20 C1a C 23.5900 -22.2600
21 N1b N 29.6100 -17.3600
22 C5a C 28.4200 -18.0600
23 N1b N 27.1600 -17.3600
24 O5a O 28.4200 -19.4600
25 S4a S 30.8000 -18.0600
26 O3c O 31.8500 -19.1100
27 O3c O 29.8200 -19.1100
BOND 28
1 4 5 1
2 7 9 2
3 12 13 2
4 13 14 1
5 14 15 2
6 15 16 1
7 16 17 2
8 17 12 1
9 5 6 2
10 16 18 1
11 6 1 1
12 14 19 1
13 19 20 1
14 8 10 1
15 5 7 1
16 21 22 1
17 10 11 1
18 22 23 1
19 23 12 1
20 1 2 2
21 22 24 2
22 7 8 1
23 21 25 1
24 25 4 1
25 2 3 1
26 25 26 2
27 3 4 2
28 25 27 2
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