ATOM 22
1 C1y C 29.5671 -19.3668
2 O2x O 30.6797 -18.5630
3 C1y C 29.9982 -20.6543
4 C1z C 31.7808 -19.3668
5 C1y C 31.3554 -20.6543
6 O1a O 29.3282 -21.8310
7 C1b C 32.9574 -20.0425
8 O1a O 32.1361 -18.0503
9 O1a O 32.0487 -21.8310
10 O1a O 34.1399 -19.3611
11 C7a C 28.3276 -18.6900
12 O7a O 27.1151 -19.3900
13 C2y C 25.9027 -18.6900
14 O6a O 28.3809 -17.2905
15 N2x N 25.7563 -17.2974
16 C1x C 24.3866 -17.0063
17 C8y C 23.6865 -18.2189
18 C8y C 24.6235 -19.2595
19 C8x C 22.3171 -18.5100
20 C8x C 21.8845 -19.8415
21 C8x C 22.8214 -20.8821
22 C8x C 24.1908 -20.5910
BOND 24
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1 #Down
7 4 8 1 #Up
8 5 9 1 #Up
9 7 10 1
10 4 5 1
11 1 11 1
12 11 12 1
13 12 13 1
14 11 14 2
15 13 15 2
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 17 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 18 22 2
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