ATOM 19
1 C1y C 24.2245 -16.3325
2 C1y C 23.8720 -14.9784
3 C1x C 25.5147 -16.8987
4 C1z C 23.0498 -17.0819
5 C2y C 24.7145 -13.8458
6 C1y C 22.4809 -14.8964
7 C1y C 26.7531 -16.2526
8 C1x C 21.9725 -16.1961
9 C1a C 22.9620 -18.6125
10 O1a O 21.7962 -17.6920
11 C2x C 26.1196 -13.8644
12 C1a C 24.0680 -12.6133
13 O1a O 21.7257 -13.7213
14 C1y C 27.0215 -14.8677
15 C2y C 27.9831 -16.9378
16 O7x O 28.4222 -14.6990
17 C7x C 29.0193 -15.9752
18 C2a C 28.1528 -18.3212
19 O6a O 30.3870 -16.2426
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Up
9 4 10 1 #Down
10 5 11 2
11 5 12 1
12 6 13 1 #Down
13 7 14 1
14 7 15 1
15 14 16 1
16 15 17 1
17 15 18 2
18 17 19 2
19 6 8 1
20 11 14 1
21 16 17 1
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