ATOM 30
1 C1z C 24.2047 -15.5859
2 C1y C 25.5518 -15.1718
3 C1y C 23.3927 -14.4519
4 C1x C 24.2047 -16.9855
5 O2x O 22.9859 -16.2857
6 C2y C 25.5634 -13.7664
7 C1y C 26.7589 -15.8775
8 C2x C 24.2281 -13.3291
9 O7a O 21.9873 -14.4537
10 C2y C 26.7822 -13.0783
11 O2x O 27.9777 -15.1894
12 O7a O 26.7472 -17.2771
13 C2x C 27.9836 -13.7898
14 C1b C 26.7882 -11.6787
15 C7a C 27.9544 -17.9710
16 O7a O 28.0070 -10.9906
17 C1b C 29.1615 -17.2654
18 O6a O 27.9603 -19.3706
19 C7a C 29.2024 -11.6963
20 C1c C 30.3746 -17.9652
21 C1a C 30.4213 -11.0139
22 O6a O 29.1908 -13.1016
23 C1a C 31.5817 -17.2595
24 C1a C 30.3746 -19.3646
25 C7a C 20.7676 -13.7200
26 C1b C 19.5551 -14.4200
27 C1c C 18.3427 -13.7200
28 C1a C 17.1303 -14.4200
29 O6a O 20.7801 -12.3200
30 C1a C 18.3427 -12.3200
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1 #Up
9 6 10 1
10 7 11 1
11 7 12 1 #Up
12 10 13 2
13 10 14 1
14 12 15 1
15 14 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 17 20 1
20 19 21 1
21 19 22 2
22 20 23 1
23 20 24 1
24 4 5 1
25 6 8 2
26 11 13 1
27 9 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 25 29 2
32 27 30 1
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