ATOM 22
1 C1x C 22.5908 -17.6931
2 C8y C 21.7461 -16.5801
3 C8y C 22.0823 -15.2192
4 N1y N 23.3472 -14.6393
5 C1x C 24.0009 -17.7184
6 C8y C 24.6046 -15.2635
7 C8y C 24.8920 -16.6364
8 C8x C 21.0721 -14.2478
9 C8y C 19.7260 -14.6371
10 C8x C 19.3898 -15.9980
11 C8x C 20.4000 -16.9691
12 C8x C 26.2272 -17.0748
13 C8x C 27.2746 -16.1376
14 C8x C 26.9874 -14.7647
15 C8x C 25.6519 -14.3262
16 X Cl 18.7236 -13.6735
17 C1b C 23.3689 -13.2602
18 C1b C 24.5967 -12.5770
19 C1b C 25.7686 -13.2786
20 N1c N 26.9945 -12.5965
21 C1a C 28.2330 -13.3373
22 C1a C 27.0166 -11.2240
BOND 24
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 6 15 2
18 9 16 1
19 4 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 20 22 1
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