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 C7x C 30.9266 -22.0600
10 C1y C 29.6982 -19.9449
11 C1x C 27.2599 -19.9703
12 C1a C 28.4821 -19.2736
13 C1z C 24.8788 -22.7629
14 C1x C 26.0504 -20.6795
15 C1x C 26.0694 -24.8590
16 O5x O 28.4695 -24.8401
17 O7x O 30.9204 -20.6477
18 O6a O 32.1237 -22.7503
19 C8y C 29.6918 -18.5644
20 C1y C 24.8788 -24.1561
21 C1y C 23.5554 -22.3450
22 C1b C 24.9884 -21.3868
23 C8x C 28.5708 -17.7600
24 C8x C 30.8063 -17.7473
25 C1z C 23.5489 -24.5868
26 O2x O 22.7448 -23.4531
27 C1b C 23.2451 -20.9834
28 C8x C 29.0016 -16.4491
29 O2x O 30.3632 -16.4429
30 C1a C 22.2950 -25.4099
31 C1a C 23.5544 -26.2968
32 C6a C 21.9076 -20.5704
33 O6a O 21.9076 -19.1704
34 O6a O 20.6951 -21.2704
35 O1a O 23.9985 -20.3969
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 3 9 1
9 4 10 1
10 4 11 1
11 4 12 1 #Down
12 6 13 1
13 6 14 1
14 7 15 1
15 7 16 2
16 9 17 1
17 9 18 2
18 10 19 1 #Down
19 13 20 1
20 13 21 1
21 13 22 1 #Up
22 19 23 1
23 19 24 2
24 20 25 1
25 21 26 1
26 21 27 1 #Up
27 23 28 2
28 24 29 1
29 25 30 1
30 25 31 1
31 3 5 1 #Up
32 10 17 1
33 11 14 1
34 15 20 1
35 25 26 1
36 28 29 1
37 27 32 1
38 32 33 1
39 32 34 2
40 22 35 1
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