ATOM 28
1 C1z C 20.4749 -16.9003
2 C1y C 19.2660 -16.1937
3 C1y C 20.4690 -18.2962
4 C1y C 21.6896 -16.2171
5 C1a C 21.0942 -15.4928
6 C1z C 18.0453 -16.8886
7 C5x C 19.2776 -14.7919
8 C1x C 19.2542 -19.0029
9 O7x O 21.6722 -19.0145
10 C2y C 21.7013 -14.8154
11 C1x C 22.9045 -16.9179
12 C1y C 18.0393 -18.2903
13 C5x C 16.8363 -16.1877
14 C1a C 18.0336 -15.7615
15 C2y C 20.4983 -14.0970
16 O5x O 18.0686 -13.9392
17 C7x C 22.8869 -18.3197
18 C1a C 22.9220 -14.1202
19 C1y C 16.8363 -18.9971
20 C2y C 15.6157 -16.8886
21 O5x O 16.8363 -14.7860
22 O2a O 20.5099 -12.6953
23 O6a O 24.1018 -19.0379
24 C2x C 15.6157 -18.2903
25 C1a C 16.8363 -20.4046
26 O2a O 14.3950 -16.1877
27 C1a C 21.7130 -11.9828
28 C1a C 13.1803 -16.8886
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 6 12 1
12 6 13 1
13 6 14 1 #Up
14 7 15 1
15 7 16 2
16 9 17 1
17 10 18 1
18 12 19 1
19 13 20 1
20 13 21 2
21 15 22 1
22 17 23 2
23 19 24 1
24 19 25 1 #Down
25 20 26 1
26 22 27 1
27 26 28 1
28 8 12 1
29 10 15 2
30 11 17 1
31 20 24 2
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