ATOM 28
1 C8y C 14.5600 -16.5900
2 C8x C 14.5600 -17.9900
3 C8y C 15.7724 -18.6900
4 N5x N 16.9849 -17.9900
5 C8y C 16.9849 -16.5900
6 N5x N 15.7724 -15.8900
7 N1b N 18.2224 -15.8900
8 C5a C 19.4349 -16.5900
9 N1b N 20.6473 -15.8900
10 S4a S 21.8597 -16.5900
11 C8y C 23.0722 -15.8900
12 O2a O 13.3476 -15.8900
13 C1a C 12.1521 -16.5804
14 O2a O 15.7724 -20.0898
15 C1a C 14.5432 -20.7997
16 O5a O 19.4349 -17.9898
17 O3c O 21.1597 -17.8024
18 O3c O 22.8497 -17.6499
19 C8y C 24.3742 -16.4700
20 C8y C 25.3282 -15.4109
21 N5x N 24.6157 -14.1764
22 N4y N 23.2214 -14.4725
23 C7a C 24.6602 -17.8174
24 O7a O 25.9823 -18.2477
25 O6a O 23.5919 -18.7782
26 C1a C 26.2769 -19.6359
27 C1a C 22.2001 -13.5526
28 X Cl 26.7310 -15.5586
BOND 29
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 1 12 1
13 12 13 1
14 3 14 1
15 14 15 1
16 8 16 2
17 10 17 2
18 10 18 2
19 11 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 11 22 1
24 19 23 1
25 23 24 1
26 23 25 2
27 24 26 1
28 22 27 1
29 20 28 1
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