ATOM 23
1 C8x C 28.9177 -20.5250
2 C8x C 30.1308 -21.2072
3 C8x C 31.2580 -20.4978
4 C8y C 31.3125 -19.1061
5 C8y C 30.0994 -18.4238
6 C8y C 28.9020 -19.1333
7 C1z C 32.3362 -18.1631
8 O2x O 31.7558 -16.8981
9 C1y C 30.3734 -17.0593
10 C1a C 29.4338 -16.0391
11 C1a C 33.6765 -17.7878
12 C1a C 33.3314 -19.1361
13 N1b N 27.6890 -18.4512
14 C5a C 26.4750 -19.1704
15 O5a O 26.4905 -20.5523
16 C8y C 25.2779 -18.5020
17 C8y C 25.6784 -17.1550
18 N4y N 24.5210 -16.3579
19 N5x N 23.4053 -17.2122
20 C8y C 23.8731 -18.4674
21 X Cl 26.9820 -16.6948
22 C1a C 23.0697 -19.7045
23 C1a C 24.5119 -14.7698
BOND 25
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 5 9 1
11 9 10 1
12 7 11 1
13 7 12 1
14 6 13 1
15 13 14 1
16 14 15 2
17 14 16 1
18 16 17 2
19 17 18 1
20 18 19 1
21 19 20 2
22 16 20 1
23 17 21 1
24 20 22 1
25 18 23 1
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