ATOM 27
1 C8x C 16.8000 -18.4800
2 C8y C 16.8000 -19.8800
3 C8x C 18.0124 -20.5800
4 C8x C 19.2249 -19.8800
5 C8y C 19.2249 -18.4800
6 C8x C 18.0124 -17.7800
7 C2c C 20.4560 -17.7690
8 C8y C 21.6612 -18.4647
9 C8x C 21.6616 -19.8796
10 C8y C 22.8742 -20.5793
11 C8y C 24.0865 -19.8789
12 C8x C 24.0860 -18.4639
13 C8x C 22.8734 -17.7643
14 X Cl 15.5876 -20.5800
15 O2a O 25.2947 -20.5760
16 C1a C 26.4866 -19.8873
17 O2a O 22.8746 -21.9799
18 C1a C 24.0988 -22.6863
19 C2b C 20.4557 -16.3801
20 C5a C 19.2314 -15.6734
21 O5a O 18.0303 -16.3673
22 N1y N 19.2312 -14.2801
23 C1x C 20.4576 -13.5717
24 C1x C 20.4573 -12.1717
25 O2x O 19.2448 -11.4720
26 C1x C 18.0184 -12.1804
27 C1x C 18.0186 -13.5804
BOND 29
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 2 14 1
16 11 15 1
17 15 16 1
18 10 17 1
19 17 18 1
20 7 19 2
21 19 20 1
22 20 21 2
23 20 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 22 27 1
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