ATOM 20
1 C1z C 23.7326 -12.5696
2 C1z C 23.4479 -13.9301
3 C1y C 25.1163 -12.4295
4 C1x C 22.3896 -12.2208
5 O2x O 23.3661 -11.2210
6 C1z C 24.6449 -14.6277
7 C1x C 22.2380 -14.6277
8 C1a C 22.2320 -13.2381
9 C1y C 25.6739 -13.6919
10 O2x O 26.4823 -12.5637
11 C1y C 24.6449 -16.0173
12 O1a O 25.8431 -15.3136
13 C1y C 22.2380 -16.0173
14 C1y C 23.4479 -16.7089
15 C7x C 24.6239 -17.1957
16 O7x O 22.2755 -17.1901
17 C2c C 23.4479 -18.0987
18 O6a O 25.6041 -17.8849
19 C1a C 22.2904 -18.8721
20 C2a C 24.6561 -19.0430
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 6 11 1
11 6 12 1 #Down
12 7 13 1
13 11 14 1
14 11 15 1 #Up
15 13 16 1 #Up
16 14 17 1 #Down
17 15 18 2
18 17 19 1
19 17 20 2
20 4 5 1
21 6 9 1
22 9 10 1
23 13 14 1
24 15 16 1
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