ATOM 29
1 C1y C 27.0475 -19.7828
2 C1y C 25.8817 -19.1148
3 C1y C 28.2197 -19.1026
4 C1x C 27.0291 -21.1795
5 C1z C 24.7218 -19.7950
6 C1x C 25.8695 -17.7605
7 C1z C 28.2256 -17.7484
8 C1x C 30.5637 -19.1086
9 C1x C 25.8877 -21.7989
10 C1y C 24.7218 -21.1309
11 C1x C 23.5801 -19.1391
12 C1a C 24.7036 -18.1673
13 C1x C 27.0415 -17.0804
14 C1y C 29.3977 -17.0744
15 C1a C 28.2255 -16.1363
16 C1x C 30.5637 -17.7605
17 C1x C 23.5618 -21.8050
18 C1x C 22.4203 -19.7950
19 C5x C 22.4203 -21.1309
20 O5x O 21.1852 -21.8359
21 O7a O 29.4047 -15.6800
22 C7a C 30.6171 -14.9881
23 C1y C 31.8022 -15.6804
24 O6a O 30.6244 -13.5804
25 C1x C 31.7950 -17.0799
26 C1x C 33.0039 -17.7861
27 C1x C 34.2199 -17.0923
28 C1x C 34.2270 -15.6928
29 C1x C 33.0182 -14.9866
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 17 19 1
19 7 13 1
20 9 10 1
21 14 16 1
22 18 19 1
23 19 20 2
24 14 21 1 #Up
25 21 22 1
26 22 23 1
27 22 24 2
28 23 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 23 29 1
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