ATOM 44
1 C1y C 25.8354 -19.6733
2 C5x C 27.0051 -18.9968
3 N1x N 28.1750 -19.6664
4 C1y C 29.3449 -18.9899
5 C8x C 25.3292 -14.7369
6 C8y C 25.3292 -16.0970
7 C8x C 26.5053 -16.7736
8 C8x C 27.6744 -16.0970
9 C8y C 27.6744 -14.7369
10 C8x C 26.5053 -14.0604
11 C2x C 28.8480 -14.0612
12 O2x O 24.1564 -16.7741
13 C1y C 24.1571 -18.7051
14 C2x C 30.5280 -15.0347
15 N1x N 30.5253 -16.9767
16 C5x C 29.3418 -17.6368
17 O5x O 27.0021 -17.6439
18 O5x O 28.1728 -16.9532
19 N1b N 25.8364 -21.0266
20 C8y C 22.9870 -19.3858
21 C5a C 27.0102 -21.7021
22 C1c C 27.0112 -23.0622
23 O5a O 28.1828 -21.0245
24 N1c N 25.8386 -23.7396
25 C1c C 28.1850 -23.7378
26 C1a C 28.1860 -25.0908
27 C1a C 24.6648 -23.0641
28 C1a C 29.3576 -23.0602
29 C8y C 31.6841 -18.9797
30 C1b C 30.4454 -19.5387
31 N4x N 33.3026 -17.4958
32 C8x C 31.9561 -17.6471
33 C8y C 33.8617 -18.7343
34 C8y C 32.8530 -19.6370
35 C8x C 33.1336 -20.9652
36 C8x C 34.4160 -21.3836
37 C8x C 35.4247 -20.4810
38 C8x C 35.1441 -19.1528
39 C1a C 25.8396 -25.0927
40 C8x C 21.8155 -18.7061
41 C8x C 20.6383 -19.3868
42 C8x C 20.6400 -20.7524
43 C8x C 21.8187 -21.4303
44 C8x C 22.9258 -20.7495
BOND 48
1 2 3 1
2 21 22 1
3 9 11 1
4 21 23 2
5 1 2 1
6 22 24 1 #Down
7 6 12 1
8 22 25 1
9 3 4 1
10 25 26 1
11 12 13 1
12 24 27 1
13 4 30 1 #Down
14 25 28 1
15 11 14 2
16 13 1 1
17 30 29 1
18 14 15 1
19 29 34 1
20 33 31 1
21 31 32 1
22 32 29 2
23 5 6 1
24 4 16 1
25 16 15 1
26 6 7 2
27 2 17 2
28 7 8 1
29 33 34 2
30 34 35 1
31 35 36 2
32 36 37 1
33 37 38 2
34 38 33 1
35 16 18 2
36 24 39 1
37 8 9 2
38 1 19 1 #Up
39 9 10 1
40 13 20 1
41 10 5 2
42 20 40 2
43 40 41 1
44 41 42 2
45 42 43 1
46 43 44 2
47 44 20 1
48 19 21 1
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