ATOM 35
1 C1z C 28.4885 -22.0537
2 C1z C 27.2789 -22.7629
3 C1y C 29.7108 -22.7566
4 C1z C 28.4885 -20.6542
5 O2x O 28.4821 -23.4278
6 C1y C 26.0694 -22.0727
7 C5x C 27.2789 -24.1561
8 C1a C 26.7135 -21.3888
9 C1c C 29.6982 -19.9449
10 C1x C 27.2599 -19.9703
11 C1a C 28.4821 -19.2736
12 C1z C 24.8788 -22.7629
13 C1x C 26.0504 -20.6795
14 C1x C 26.0694 -24.8590
15 O5x O 28.4695 -24.8401
16 O1a O 30.9204 -20.6477
17 C8y C 29.6918 -18.5644
18 C1y C 24.8788 -24.1561
19 C1y C 23.5554 -22.3450
20 C1x C 25.7584 -21.2468
21 C8x C 28.5708 -17.7600
22 C8x C 30.8063 -17.7473
23 C1z C 23.5489 -24.5868
24 O2x O 22.7448 -23.4531
25 C1x C 23.2451 -20.9834
26 O7x O 25.3082 -20.2352
27 C8x C 29.0016 -16.4491
28 O2x O 30.3632 -16.4429
29 C1a C 22.2950 -25.4099
30 C1a C 23.5544 -26.2968
31 C7x C 23.9720 -20.1162
32 O6a O 23.2416 -18.9136
33 C6a C 31.1108 -22.7566
34 O6a O 31.8108 -23.9691
35 O6a O 32.1007 -21.7667
BOND 40
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 4 9 1
9 4 10 1
10 4 11 1 #Down
11 6 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 9 17 1 #Down
16 12 18 1
17 12 19 1
18 12 20 1 #Up
19 17 21 1
20 17 22 2
21 18 23 1
22 19 24 1
23 19 25 1 #Up
24 20 26 1
25 21 27 2
26 22 28 1
27 23 29 1
28 23 30 1
29 25 31 1
30 31 32 2
31 3 5 1 #Up
32 9 16 1
33 10 13 1
34 14 18 1
35 23 24 1
36 26 31 1
37 27 28 1
38 3 33 1
39 33 34 2
40 33 35 1
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