ATOM 18
1 C1y C 22.2613 -14.6655
2 C1z C 22.6927 -15.9945
3 C1y C 23.0308 -13.4939
4 C1x C 20.8623 -14.6715
5 C1x C 24.0043 -16.4842
6 C5x C 21.5677 -16.8166
7 C1a C 22.6810 -17.3877
8 C1x C 24.4238 -13.3599
9 C1a C 23.0191 -12.0950
10 C1x C 20.4369 -16.0004
11 C1y C 25.2050 -15.7673
12 O5x O 21.5735 -18.2096
13 C1y C 25.3916 -14.3741
14 C2y C 26.4815 -16.3793
15 O7x O 26.7789 -14.1177
16 C7x C 27.4491 -15.3534
17 C2a C 26.7322 -17.7492
18 O6a O 28.8305 -15.5341
BOND 20
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 6 12 2
12 8 13 1
13 11 14 1
14 13 15 1
15 14 16 1
16 14 17 2
17 16 18 2
18 6 10 1
19 11 13 1
20 15 16 1
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