ATOM 44
1 C1y C 27.6747 -17.7449
2 C1y C 27.6747 -19.1432
3 O2x O 28.8859 -17.0370
4 C1b C 26.4576 -17.0427
5 C1y C 28.8917 -19.8454
6 O7a O 26.4635 -19.8454
7 C1y C 30.1029 -17.7391
8 O2a O 26.4576 -15.6444
9 C1y C 30.1087 -19.1432
10 O1a O 28.8917 -21.2439
11 C7a C 25.2523 -19.1492
12 O2a O 31.3141 -17.0487
13 C1y C 25.1706 -14.9422
14 O1a O 31.3199 -19.8396
15 C2b C 24.0352 -19.8454
16 O6a O 25.2523 -17.7508
17 C1b C 32.5194 -17.7449
18 C1y C 25.2347 -13.5379
19 O2x O 24.0294 -15.6444
20 C2b C 22.8299 -19.1492
21 C1b C 33.7306 -17.0544
22 C1y C 24.0177 -12.8475
23 O1a O 26.4401 -12.8358
24 C1y C 22.8125 -14.9539
25 C8y C 21.6187 -19.8454
26 C8y C 34.9418 -17.7508
27 C1y C 22.8065 -13.5496
28 O1a O 24.0118 -11.4432
29 C1a C 21.6070 -15.6561
30 C8x C 20.4018 -19.1492
31 C8x C 21.6247 -21.2497
32 C8x C 36.1530 -17.0544
33 C8x C 34.9418 -19.1549
34 O1a O 21.5896 -12.8592
35 C8y C 19.1906 -19.8513
36 C8x C 20.4075 -21.9518
37 C8y C 37.3642 -17.7508
38 C8x C 36.1530 -19.8513
39 C8y C 19.1906 -21.2556
40 O1a O 17.9734 -19.1492
41 C8y C 37.3642 -19.1549
42 O1a O 38.5754 -17.0544
43 O1a O 17.9794 -21.9518
44 O1a O 38.5754 -19.8513
BOND 47
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1 #Up
12 13 8 1 #Down
13 9 14 1 #Down
14 11 15 1
15 11 16 2
16 12 17 1
17 13 18 1
18 13 19 1
19 15 20 2
20 17 21 1
21 18 22 1
22 18 23 1 #Up
23 19 24 1
24 20 25 1
25 21 26 1
26 22 27 1
27 22 28 1 #Up
28 24 29 1 #Up
29 25 30 1
30 25 31 2
31 26 32 2
32 26 33 1
33 27 34 1 #Down
34 30 35 2
35 31 36 1
36 32 37 1
37 33 38 2
38 35 39 1
39 35 40 1
40 37 41 2
41 37 42 1
42 39 43 1
43 41 44 1
44 7 9 1
45 24 27 1
46 36 39 2
47 38 41 1
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