ATOM 28
1 C8y C 32.8236 -19.1942
2 C8x C 32.8165 -20.5955
3 C8x C 34.0276 -21.2987
4 C8x C 35.2456 -20.6077
5 C8x C 35.2525 -19.2063
6 C8y C 34.0416 -18.4962
7 C1y C 27.9860 -19.1801
8 C1y C 27.9789 -20.5815
9 C1y C 29.1899 -21.2847
10 C1y C 30.4079 -20.5937
11 C1y C 30.4149 -19.1923
12 O2x O 29.2040 -18.4820
13 C8x C 20.7258 -19.1942
14 C8x C 20.7258 -20.5955
15 C8x C 21.9362 -21.2927
16 C8x C 23.1466 -20.5955
17 C8y C 23.1466 -19.1942
18 C8x C 21.9362 -18.4901
19 C7a C 24.3524 -18.4901
20 O7a O 25.5635 -19.1872
21 C1b C 26.7747 -18.4830
22 O6a O 24.3478 -17.0887
23 O2a O 31.6124 -18.4901
24 C1b C 34.0487 -17.0948
25 O1a O 35.2667 -16.4038
26 O1a O 29.1828 -22.6859
27 O1a O 26.7609 -21.2726
28 O1a O 31.6119 -21.2969
BOND 30
1 2 3 1
2 3 4 2
3 4 5 1
4 13 14 1
5 14 15 2
6 15 16 1
7 16 17 2
8 17 18 1
9 18 13 2
10 5 6 2
11 17 19 1
12 7 8 1
13 19 20 1
14 8 9 1
15 20 21 1
16 7 21 1 #Up
17 9 10 1
18 19 22 2
19 10 11 1
20 11 23 1 #Up
21 23 1 1
22 11 12 1
23 6 24 1
24 12 7 1
25 24 25 1
26 6 1 1
27 9 26 1 #Up
28 8 27 1 #Down
29 1 2 2
30 10 28 1 #Down
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