ATOM 28
1 C1y C 25.7259 -22.0902
2 C8y C 24.5110 -21.3835
3 C1y C 26.9409 -21.4009
4 C8y C 25.7201 -23.4920
5 C8y C 24.5168 -19.9816
6 C8x C 23.3077 -22.0844
7 C1y C 26.9524 -19.9933
8 C7x C 28.2843 -21.8449
9 C8x C 26.9350 -24.1987
10 C8x C 24.4994 -24.1987
11 C1x C 25.7376 -19.2807
12 C8x C 23.3077 -19.2748
13 C8y C 22.0869 -21.3835
14 C1x C 28.2960 -19.5610
15 O7x O 29.1137 -20.7059
16 O6a O 28.7048 -23.1824
17 C8y C 26.9350 -25.6006
18 C8y C 24.4994 -25.6006
19 C8y C 22.0869 -19.9757
20 O2x O 20.7435 -21.8156
21 C8y C 25.7142 -26.3015
22 O2x O 27.9688 -26.5410
23 O2a O 23.2843 -26.3015
24 O2x O 20.7494 -19.5319
25 C1x C 19.9259 -20.6709
26 O2x O 26.0005 -27.6742
27 C1x C 27.3964 -27.8202
28 C1a C 22.0636 -25.6065
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 8 15 1
15 8 16 2
16 9 17 1
17 10 18 2
18 12 19 2
19 13 20 1
20 17 21 2
21 17 22 1
22 18 23 1
23 19 24 1
24 20 25 1
25 21 26 1
26 22 27 1
27 23 28 1
28 7 11 1
29 13 19 1
30 14 15 1
31 18 21 1
32 24 25 1
33 26 27 1
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