ATOM 22
1 C8y C 23.5223 -16.9638
2 C8y C 23.5280 -15.5658
3 C8y C 24.7338 -17.6686
4 C8x C 22.3165 -17.6628
5 O2x O 24.7455 -14.8668
6 C8x C 22.3165 -14.8611
7 C8y C 25.9396 -16.9755
8 O5x O 24.7222 -19.0666
9 C8y C 21.0991 -16.9638
10 C8x C 25.9453 -15.5717
11 C8y C 21.0991 -15.5658
12 C8y C 27.1511 -17.6745
13 O2a O 19.8874 -17.6628
14 O1a O 19.8874 -14.8611
15 C8x C 27.1394 -19.0725
16 C8x C 28.3628 -16.9812
17 C1a C 18.6700 -16.9638
18 C8x C 28.3511 -19.7831
19 C8x C 29.5743 -17.6861
20 C8y C 29.5685 -19.0841
21 O2a O 30.7800 -19.7948
22 C1a C 31.9916 -19.0958
BOND 24
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 9 13 1
13 11 14 1
14 12 15 2
15 12 16 1
16 13 17 1
17 15 18 1
18 16 19 2
19 18 20 2
20 20 21 1
21 21 22 1
22 7 10 2
23 9 11 1
24 19 20 1
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