ATOM 43
1 C8y C 20.0900 -22.2600
2 C8x C 20.0900 -23.6600
3 C8y C 21.3024 -24.3600
4 C8y C 22.5149 -23.6600
5 C8y C 22.5149 -22.2600
6 C8x C 21.3024 -21.5600
7 C8y C 23.7273 -24.3600
8 C8y C 24.9397 -23.6600
9 C8y C 24.9397 -22.2600
10 O2x O 23.7273 -21.5600
11 O5x O 23.7273 -25.7600
12 C8y C 26.1373 -21.5685
13 C8x C 27.3256 -22.2545
14 C8x C 28.5380 -21.5545
15 C8y C 28.5380 -20.1545
16 C8y C 27.3497 -19.4685
17 C8x C 26.1373 -20.1685
18 O2a O 26.1373 -24.3515
19 C1y C 27.3497 -25.0515
20 C1y C 27.3496 -26.4599
21 C1y C 28.5620 -27.1600
22 C1y C 29.7745 -26.4601
23 C1y C 29.7746 -25.0517
24 O2x O 28.5622 -24.3516
25 O1a O 21.3024 -25.7598
26 O1a O 18.8776 -21.5600
27 O1a O 27.3495 -18.0601
28 O1a O 29.7644 -19.4462
29 O2a O 30.9683 -27.1497
30 C1a C 30.9650 -24.3644
31 O1a O 26.1525 -27.1511
32 O1a O 28.5619 -28.5600
33 C1y C 32.1808 -27.8497
34 C1y C 32.1806 -29.2599
35 C1y C 33.3930 -29.9600
36 C1y C 34.6055 -29.2601
37 C1y C 34.6056 -27.8499
38 O2x O 33.3933 -27.1498
39 O1a O 30.9827 -29.9515
40 O1a O 35.7985 -29.9493
41 C1b C 35.7945 -27.1636
42 O1a O 33.3928 -31.3600
43 O1a O 36.9869 -27.8523
BOND 47
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 7 11 2
13 9 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 8 18 1
21 19 18 1 #Down
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 3 25 1
29 1 26 1
30 16 27 1
31 15 28 1
32 22 29 1 #Down
33 23 30 1 #Up
34 20 31 1 #Up
35 21 32 1 #Up
36 33 29 1 #Down
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 37 38 1
42 33 38 1
43 34 39 1 #Up
44 36 40 1 #Up
45 37 41 1 #Down
46 35 42 1 #Down
47 41 43 1
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