ATOM 33
1 C1z C 28.0794 -16.3985
2 C1y C 27.6587 -15.0723
3 C1x C 29.3880 -16.9009
4 C5x C 26.9459 -17.2223
5 C1a C 28.4357 -17.7422
6 C1y C 26.2566 -15.0666
7 C1y C 28.4357 -13.9038
8 C1y C 30.5914 -16.1941
9 C1x C 25.8184 -16.3985
10 O5x O 26.9459 -18.6185
11 O2a O 25.0472 -14.3596
12 C1x C 29.8261 -13.7812
13 C1a C 27.7229 -12.7004
14 C1y C 30.7842 -14.7977
15 C2y C 31.8591 -16.8133
16 C1y C 23.8379 -15.0606
17 O7x O 32.1746 -14.5524
18 C7x C 32.8348 -15.7968
19 C2a C 32.1044 -18.1861
20 O2x O 22.6228 -14.3596
21 C1y C 23.8379 -16.4628
22 O6a O 34.2193 -15.9896
23 C1y C 21.4135 -15.0606
24 C1y C 22.6286 -17.1638
25 O1a O 25.0532 -17.1579
26 C1y C 21.4135 -16.4628
27 C1b C 20.1983 -14.3655
28 O1a O 22.6286 -18.5600
29 O1a O 20.2042 -17.1638
30 O7a O 18.9890 -15.0606
31 C7a C 17.7798 -14.3596
32 C1a C 16.5762 -15.0606
33 O6a O 17.7798 -12.9634
BOND 36
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 6 11 1 #Down
11 7 12 1
12 7 13 1 #Down
13 8 14 1
14 8 15 1
15 16 11 1 #Up
16 14 17 1
17 15 18 1
18 15 19 2
19 16 20 1
20 16 21 1
21 18 22 2
22 20 23 1
23 21 24 1
24 21 25 1 #Down
25 23 26 1
26 23 27 1 #Up
27 24 28 1 #Up
28 26 29 1 #Down
29 27 30 1
30 30 31 1
31 31 32 1
32 31 33 2
33 6 9 1
34 12 14 1
35 17 18 1
36 24 26 1
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