ATOM 23
1 C1a C 35.2965 -20.7262
2 O2a O 34.0778 -21.4085
3 C8y C 32.8707 -20.6971
4 C8x C 32.8940 -19.2976
5 C8y C 31.6521 -21.3852
6 C8y C 31.6812 -18.5804
7 C8x C 30.4451 -20.6738
8 C8y C 30.4625 -19.2743
9 C5a C 29.2554 -18.5571
10 N1c N 28.0310 -19.2452
11 C1b C 26.8239 -18.5279
12 C1b C 25.6052 -19.2159
13 C8y C 24.3981 -18.4988
14 C8x C 24.4215 -17.1052
15 C8x C 23.1794 -19.1985
16 C8x C 23.2144 -16.3938
17 C8x C 21.9723 -18.4813
18 C8y C 21.9899 -17.0759
19 O1a O 20.8006 -16.3704
20 O5a O 29.2722 -17.1622
21 C1a C 28.0140 -20.6401
22 X Br 31.6927 -17.1853
23 O1a O 31.6391 -22.7803
BOND 24
1 3 5 1
2 4 6 1
3 5 7 2
4 6 8 2
5 8 9 1
6 9 10 1
7 10 11 1
8 11 12 1
9 12 13 1
10 13 14 2
11 13 15 1
12 14 16 1
13 15 17 2
14 16 18 2
15 18 19 1
16 7 8 1
17 17 18 1
18 9 20 2
19 1 2 1
20 10 21 1
21 2 3 1
22 6 22 1
23 3 4 2
24 5 23 1
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