ATOM 23
1 C8y C 30.0014 -19.5460
2 C8x C 31.3939 -19.5364
3 N5x N 32.1018 -20.7414
4 C8x C 31.4124 -21.9642
5 C8x C 30.0068 -21.9606
6 C8x C 29.3120 -20.7470
7 C8x C 25.7901 -19.5629
8 C8y C 27.1869 -19.5531
9 C8x C 27.8907 -20.7563
10 C8x C 27.1998 -21.9696
11 C8y C 25.7973 -21.9726
12 C8x C 25.0998 -20.7689
13 S4a S 25.0961 -23.1875
14 C1a C 24.3949 -24.4145
15 O3c O 23.8750 -22.4856
16 O3c O 26.3246 -23.8909
17 C8y C 27.8821 -15.9223
18 C8x C 29.2789 -15.9125
19 N5x N 29.9828 -17.1155
20 C8y C 29.2917 -18.3290
21 C8y C 27.8893 -18.3320
22 C8x C 27.1918 -17.1281
23 X Cl 27.1510 -14.7059
BOND 25
1 12 7 2
2 7 8 1
3 11 13 1
4 9 10 1
5 13 14 1
6 13 15 2
7 10 11 2
8 13 16 2
9 8 9 2
10 11 12 1
11 3 4 1
12 4 5 2
13 5 6 1
14 6 1 2
15 1 2 1
16 2 3 2
17 18 19 1
18 19 20 2
19 20 21 1
20 21 22 2
21 22 17 1
22 17 23 1
23 17 18 2
24 21 8 1
25 20 1 1
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