ATOM 23
1 C1y C 28.0170 -20.2498
2 C1y C 28.0227 -21.6489
3 O2x O 26.7987 -19.5504
4 C1y C 26.8102 -22.3484
5 N1b N 29.2237 -22.3428
6 C1y C 25.5977 -20.2498
7 C1y C 25.5977 -21.6489
8 O1a O 26.7987 -23.7359
9 C1a C 30.4303 -21.6372
10 C1b C 24.3852 -19.5504
11 O1a O 24.3852 -22.3311
12 O1a O 23.1725 -20.2440
13 O2a O 29.2212 -19.5493
14 C1c C 29.2212 -18.1516
15 C1d C 30.4150 -17.4626
16 C4a C 28.0101 -17.4523
17 C1c C 31.6158 -18.1561
18 O1a O 32.7976 -17.4739
19 C4a C 30.3451 -16.0734
20 O4a O 31.6124 -15.3821
21 O1a O 31.6254 -16.4842
22 C1a C 31.6158 -19.5672
23 O4a O 26.7999 -18.1509
BOND 23
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1 #Up
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 6 10 1 #Down
10 7 11 1 #Up
11 10 12 1
12 6 7 1
13 1 13 1 #Up
14 13 14 1
15 14 15 1
16 14 16 1 #Up
17 15 17 1
18 17 18 1
19 15 19 1
20 19 20 2
21 15 21 1 #Down
22 17 22 1 #Up
23 16 23 2
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