ATOM 19
1 C1z C 23.5238 -16.3224
2 C1y C 23.0506 -15.0078
3 C1y C 24.8617 -16.7722
4 C5x C 22.4197 -17.1811
5 C1a C 23.5121 -17.7185
6 C1y C 23.7867 -13.8102
7 C2x C 21.6485 -15.0546
8 C1y C 26.0359 -16.0010
9 O1a O 24.8500 -18.1626
10 C2x C 21.2631 -16.3983
11 O5x O 22.3965 -18.5773
12 C1x C 25.1771 -13.6291
13 C1a C 23.0272 -12.6360
14 C1y C 26.1762 -14.6106
15 C2y C 27.3154 -16.5677
16 O7x O 27.5432 -14.3185
17 C7x C 28.2500 -15.5278
18 C2a C 27.6074 -17.9347
19 O6a O 29.6404 -15.6681
BOND 21
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 #Up
9 4 10 1
10 4 11 2
11 6 12 1
12 6 13 1 #Down
13 8 14 1
14 8 15 1
15 14 16 1
16 15 17 1
17 15 18 2
18 17 19 2
19 7 10 2
20 12 14 1
21 16 17 1
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