ATOM 23
1 N5x N 17.1794 -18.0639
2 C8y C 17.1794 -16.6616
3 C8y C 15.9650 -15.9603
4 C8x C 14.7504 -16.6616
5 C8x C 14.7504 -18.0639
6 C8x C 15.9650 -18.7650
7 C7a C 15.9650 -14.5580
8 O6a O 14.7498 -13.8564
9 O7a O 17.1787 -13.8572
10 N1b N 18.3938 -15.9603
11 C8y C 19.6088 -16.6620
12 C8x C 19.6088 -18.0639
13 C8x C 20.8233 -18.7650
14 C8x C 22.0379 -18.0639
15 C8y C 22.0379 -16.6620
16 C8y C 20.8233 -15.9607
17 C1a C 20.8234 -14.5580
18 X Cl 23.2547 -15.9593
19 C1b C 17.1786 -12.4786
20 C1c C 18.3949 -11.7763
21 O1a O 19.5935 -12.4684
22 C1b C 18.3949 -10.3751
23 O1a O 19.5931 -9.6831
BOND 24
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 3 7 1
8 7 8 2
9 7 9 1
10 2 10 1
11 10 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 11 16 2
18 16 17 1
19 15 18 1
20 9 19 1
21 19 20 1
22 20 21 1
23 20 22 1
24 22 23 1
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