ATOM 27
1 C8y C 27.8395 -17.1912
2 C8y C 27.8919 -18.5890
3 C1z C 29.1732 -16.7777
4 C8y C 26.6339 -16.4865
5 C8x C 26.6047 -19.2822
6 O2x O 29.1441 -19.0434
7 C1y C 29.9770 -17.9251
8 C1x C 30.0119 -15.6537
9 O1a O 28.4568 -15.5547
10 C8y C 25.4166 -17.1679
11 O1a O 26.5755 -15.0828
12 C8y C 25.4049 -18.5657
13 O2x O 31.3923 -17.5116
14 C1y C 31.3398 -16.1078
15 C5x C 24.2051 -16.4689
16 C5x C 24.1936 -19.2705
17 O1a O 32.4872 -15.2983
18 C8y C 22.9880 -17.1621
19 O5x O 24.2110 -15.0654
20 C8y C 22.9820 -18.5600
21 O5x O 24.1877 -20.6682
22 C8y C 21.7764 -16.4632
23 C8y C 21.7764 -19.2646
24 C8x C 20.5708 -17.1621
25 O1a O 21.7823 -15.0596
26 C8x C 20.5708 -18.5600
27 O1a O 21.7823 -20.6624
BOND 31
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 4 11 1
11 5 12 1
12 7 13 1
13 8 14 1
14 10 15 1
15 12 16 1
16 14 17 1 #Down
17 15 18 1
18 15 19 2
19 16 20 1
20 16 21 2
21 18 22 1
22 20 23 1
23 22 24 2
24 22 25 1
25 23 26 2
26 23 27 1
27 6 7 1
28 10 12 2
29 13 14 1
30 18 20 2
31 24 26 1
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