ATOM 30
1 C8y C 20.0011 -16.9718
2 C8y C 21.2053 -16.2741
3 C8y C 21.2053 -14.8787
4 C8x C 20.0011 -14.1810
5 C1x C 24.5881 -16.2801
6 C1z C 24.5881 -14.8745
7 C1y C 23.6024 -13.8830
8 C1x C 22.1968 -13.8830
9 C8y C 23.6051 -17.2709
10 C8y C 22.1968 -17.2715
11 C8y C 21.4934 -18.4915
12 C8y C 22.1982 -19.7107
13 C8y C 23.6064 -19.7099
14 C8x C 24.3099 -18.4900
15 O2a O 20.0028 -18.3672
16 C1a C 18.7953 -19.0665
17 O2a O 21.5012 -20.9195
18 O2a O 24.3048 -20.9180
19 C1a C 23.6080 -22.1269
20 C1a C 22.1997 -22.1277
21 C8y C 18.7897 -16.2741
22 C8y C 18.7904 -14.8704
23 O2x O 17.4553 -14.4359
24 C1x C 16.6299 -15.5714
25 O2x O 17.4543 -16.7075
26 C1a C 24.1382 -12.5947
27 C1a C 24.9406 -13.5199
28 O1a O 25.7863 -15.5707
29 O2a O 20.7827 -19.6935
30 C1a C 19.3873 -20.2465
BOND 33
1 13 14 2
2 14 9 1
3 6 7 1
4 1 15 1
5 10 2 1
6 15 16 1
7 7 8 1
8 12 17 1
9 8 3 1
10 13 18 1
11 5 9 1
12 18 19 1
13 5 6 1
14 17 20 1
15 3 4 2
16 4 22 1
17 21 1 1
18 1 2 2
19 21 22 2
20 22 23 1
21 23 24 1
22 24 25 1
23 25 21 1
24 2 3 1
25 7 26 1 #Up
26 9 10 2
27 6 27 1 #Up
28 10 11 1
29 6 28 1 #Down
30 11 12 2
31 11 29 1
32 12 13 1
33 29 30 1
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