ATOM 19
1 C1y C 27.5880 -14.6773
2 C1z C 26.9020 -13.6483
3 C2y C 28.8227 -15.3633
4 C1x C 26.0788 -14.9517
5 C1z C 26.9020 -15.8435
6 C5x C 28.2053 -16.7353
7 C1x C 25.3928 -16.2551
8 C2b C 29.9889 -14.6773
9 C8y C 31.2237 -15.3633
10 C8x C 31.2237 -16.7353
11 C8x C 32.3899 -17.4213
12 C8y C 33.6247 -16.7353
13 C8x C 33.6247 -15.3633
14 C8x C 32.3899 -14.6773
15 C1a C 34.8071 -17.4311
16 C1a C 26.2020 -12.4359
17 C1a C 25.5288 -14.0163
18 C1a C 26.4623 -17.2045
19 O5x O 28.5831 -18.0794
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 6 1
8 5 7 1
9 3 8 2
10 8 9 1
11 9 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 12 15 1
18 2 16 1
19 2 17 1
20 5 18 1
21 6 19 2
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