ATOM 22
1 C7a C 24.4721 -19.9354
2 O7a O 25.9016 -19.0809
3 C1a C 23.2755 -19.2433
4 O6a O 24.4721 -21.3122
5 C1y C 25.8433 -17.5561
6 C1y C 25.8433 -14.8049
7 O1a O 27.0133 -14.1072
8 C1x C 24.6488 -16.8584
9 C1y C 24.6488 -15.4827
10 C4a C 25.8433 -13.4232
11 C1a C 23.4543 -14.8049
12 O4a O 24.6488 -12.7313
13 C1z C 27.0250 -15.4827
14 C1y C 27.0208 -16.8613
15 C1z C 28.3314 -17.3012
16 C1x C 29.1508 -16.1855
17 C1z C 28.3382 -15.0652
18 C4a C 29.5158 -14.3087
19 C1a C 28.3116 -13.7384
20 O4a O 30.7405 -15.0936
21 C1a C 29.5149 -18.0179
22 C1a C 28.3829 -18.7310
BOND 23
1 1 4 2
2 1 3 1
3 1 2 1
4 14 5 1
5 13 6 1
6 13 7 1 #Up
7 5 8 1
8 13 14 1
9 14 15 1
10 15 16 1
11 16 17 1
12 17 13 1
13 5 2 1 #Up
14 17 18 1 #Up
15 6 9 1
16 17 19 1 #Down
17 6 10 1 #Down
18 18 20 2
19 9 11 1 #Up
20 10 12 2
21 15 21 1
22 8 9 1
23 15 22 1
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