ATOM 26
1 C8y C 7.7000 -7.4900
2 C8y C 7.7000 -8.8900
3 C8x C 8.9124 -9.5900
4 C8y C 10.1249 -8.8900
5 C8y C 10.1249 -7.4900
6 C8x C 8.9124 -6.7900
7 C8y C 11.3373 -9.5900
8 N5y N 12.5497 -8.8900 #+
9 C1x C 12.5497 -7.4900
10 C1x C 11.3373 -6.7900
11 C8x C 11.3373 -10.9900
12 C8y C 12.5497 -11.6900
13 C8y C 13.7622 -10.9900
14 C8x C 13.7622 -9.5900
15 C8x C 12.5497 -13.0900
16 C8x C 13.7622 -13.7900
17 C8y C 14.9746 -13.0900
18 C8y C 14.9746 -11.6900
19 O2x O 6.3685 -7.0574
20 C1x C 5.5456 -8.1900
21 O2x O 6.3685 -9.3226
22 O2a O 16.1911 -10.9877
23 C1a C 17.3886 -11.6792
24 O2a O 16.1911 -13.7923
25 C1a C 17.3886 -13.1008
26 X Cl 15.0500 -8.8200 #-
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 7 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 8 14 2
17 12 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 13 18 1
22 1 19 1
23 19 20 1
24 20 21 1
25 2 21 1
26 18 22 1
27 22 23 1
28 17 24 1
29 24 25 1
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