ATOM 30
1 C8y C 25.6779 -20.3403
2 C8x C 25.6779 -21.6894
3 C8y C 28.0134 -21.6894
4 C8y C 28.0134 -20.3403
5 O2x O 26.8491 -19.6657
6 C1y C 24.5201 -20.3458
7 C1z C 23.6269 -19.0456
8 C1x C 24.4483 -17.7436
9 C1z C 28.0013 -17.6829
10 C7x C 27.9944 -16.4038
11 O7x O 25.6578 -16.3456
12 C1y C 25.6646 -17.6947
13 C1y C 26.8363 -18.3634
14 C1y C 29.3504 -17.6829
15 C1x C 30.6586 -18.3097
16 C1y C 30.6517 -19.6588
17 C1x C 29.3572 -20.3403
18 C4a C 29.1733 -22.3639
19 O4a O 29.1690 -23.7130
20 O6a O 28.9435 -15.3751
21 O2x O 23.0001 -20.1221
22 O2x O 28.0013 -19.0320
23 C2c C 31.8169 -20.3334
24 O7a O 30.3042 -16.7222
25 C7a C 31.6533 -16.7222
26 O6a O 32.3279 -17.8905
27 C1a C 32.3279 -15.5538
28 C1a C 22.9991 -17.9696
29 C2a C 31.8152 -21.6825
30 C1a C 32.9861 -19.6603
BOND 34
1 14 15 1
2 3 4 2
3 15 16 1
4 16 17 1
5 7 8 1
6 4 17 1
7 4 5 1
8 3 18 1
9 5 1 1
10 18 19 2
11 2 3 1
12 10 20 2
13 7 21 1 #Down
14 6 21 1 #Down
15 1 6 1
16 9 10 1
17 13 22 1 #Down
18 9 22 1 #Down
19 11 12 1
20 16 23 1 #Down
21 12 13 1
22 14 24 1 #Up
23 13 9 1
24 24 25 1
25 10 11 1
26 25 26 2
27 8 12 1
28 25 27 1
29 1 2 2
30 7 28 1
31 9 14 1
32 23 29 2
33 6 7 1
34 23 30 1
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