ATOM 19
1 C1z C 23.4872 -16.4044
2 C1y C 23.0777 -15.0591
3 C1y C 24.7974 -16.9133
4 C5x C 22.3524 -17.1999
5 C1a C 23.4696 -17.7906
6 C1y C 23.8673 -13.8951
7 C2x C 21.6856 -15.0473
8 C1y C 26.0257 -16.2171
9 O1a O 24.7857 -18.2994
10 C2x C 21.2352 -16.3693
11 O5x O 22.3290 -18.5919
12 C1x C 25.2712 -13.7840
13 C1a C 23.1712 -12.6900
14 C1y C 26.2187 -14.8192
15 C2y C 27.2950 -16.8373
16 O7x O 27.6109 -14.5793
17 C7x C 28.2777 -15.8253
18 C2a C 27.5349 -18.2117
19 O6a O 29.6522 -16.0242
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 #Down
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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