ATOM 44
1 C1z C 29.0673 -19.4536
2 C1z C 29.0615 -20.8306
3 C1y C 30.2634 -18.7651
4 C1x C 27.8771 -18.7593
5 C4a C 29.0556 -18.0708
6 C1x C 30.2517 -21.5308
7 C1x C 27.8771 -21.5250
8 O7a O 29.0498 -22.2076
9 C1y C 31.4595 -19.4653
10 C1x C 30.2050 -17.3881
11 C1x C 26.6693 -19.4536
12 O4a O 27.8537 -17.3764
13 C1x C 31.4595 -20.8423
14 C1y C 26.6693 -20.8306
15 C7a C 30.2400 -22.8902
16 C1z C 32.6497 -18.7827
17 C1x C 31.4828 -16.7055
18 O7a O 25.4789 -21.5250
19 C1a C 30.2400 -24.2731
20 O6a O 31.4361 -22.2018
21 C1z C 32.5973 -17.4057
22 C1x C 35.0945 -18.7418
23 O1a O 32.6380 -20.1538
24 C7a C 24.2828 -20.8306
25 C1y C 33.8634 -16.7346
26 C1a C 32.5856 -16.0228
27 C1x C 35.0419 -17.4348
28 C1c C 23.0867 -21.5250
29 O6a O 24.2828 -19.4536
30 C8y C 33.8751 -15.3460
31 C1c C 21.8906 -20.8306
32 O1a O 23.0809 -22.9078
33 C8x C 35.0653 -14.6517
34 C8x C 32.6789 -14.6634
35 C1c C 20.7004 -21.5250
36 O1a O 21.8848 -19.4536
37 C8x C 35.0595 -13.2688
38 O7x O 32.6673 -13.2805
39 C1c C 19.5100 -20.8306
40 O1a O 20.6945 -22.9078
41 C8y C 33.8634 -12.5803
42 C1a C 18.3209 -21.5250
43 O1a O 19.4984 -19.4536
44 O6a O 33.8517 -11.2177
BOND 48
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 2 8 1 #Up
8 3 9 1
9 3 10 1
10 4 11 1
11 5 12 2
12 6 13 1
13 7 14 1
14 8 15 1
15 9 16 1
16 10 17 1
17 14 18 1 #Up
18 15 19 1
19 15 20 2
20 16 21 1
21 16 22 1
22 16 23 1 #Up
23 18 24 1
24 21 25 1
25 21 26 1 #Up
26 22 27 1
27 24 28 1
28 24 29 2
29 25 30 1
30 28 31 1
31 28 32 1 #Down
32 30 33 1
33 30 34 2
34 31 35 1
35 31 36 1 #Up
36 33 37 2
37 34 38 1
38 35 39 1
39 35 40 1 #Up
40 37 41 1
41 39 42 1
42 39 43 1 #Down
43 41 44 2
44 9 13 1
45 11 14 1
46 17 21 1
47 25 27 1
48 38 41 1
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