ATOM 28
1 C8x C 27.3863 -21.9732
2 C8y C 27.3863 -20.5701
3 C8y C 26.1701 -19.8626
4 C8y C 28.5941 -19.8775
5 C8y C 29.8043 -20.5788
6 C8x C 29.8088 -17.7813
7 C8x C 28.5264 -18.4788
8 C8y C 31.0190 -18.4827
9 C8y C 31.0160 -19.8780
10 C1y C 32.2226 -20.5783
11 N1x N 33.4325 -19.8835
12 C1y C 33.4357 -18.4881
13 C1y C 32.2289 -17.7879
14 O1a O 29.8038 -21.9775
15 C1a C 32.2196 -21.9770
16 C1a C 34.6486 -17.7915
17 O1a O 32.2321 -16.3892
18 C8x C 26.1762 -22.6780
19 O1a O 26.1688 -18.4639
20 C8y C 24.9704 -21.9777
21 C8y C 24.9599 -20.5701
22 C8y C 23.7358 -19.8753
23 C8x C 22.5221 -20.5881
24 C8y C 22.5326 -21.9956
25 C8x C 23.7567 -22.6904
26 O2a O 23.7255 -18.4768
27 C1a C 22.5090 -17.7862
28 C1a C 21.3265 -22.7040
BOND 31
1 12 13 1
2 13 8 1
3 5 9 1
4 5 14 1
5 8 6 1
6 10 15 1 #Down
7 6 7 2
8 12 16 1 #Up
9 7 4 1
10 13 17 1 #Up
11 2 4 1
12 18 20 1
13 3 2 2
14 3 19 1
15 1 18 2
16 1 2 1
17 21 3 1
18 4 5 2
19 8 9 2
20 20 21 1
21 21 22 2
22 22 23 1
23 23 24 2
24 24 25 1
25 25 20 2
26 9 10 1
27 22 26 1
28 10 11 1
29 26 27 1
30 11 12 1
31 24 28 1
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