ATOM 44
1 C1y C 27.3808 -16.6785
2 C1y C 27.3460 -18.0763
3 C5x C 26.0588 -16.2185
4 C1b C 28.5749 -15.9796
5 C1y C 26.0065 -18.4841
6 C2b C 28.5573 -18.7695
7 C1x C 25.2203 -17.3425
8 O5x O 25.6395 -14.8906
9 C1b C 29.7862 -16.6728
10 C2b C 29.7572 -18.0763
11 C1b C 30.9861 -15.9796
12 C1c C 30.9685 -18.7636
13 C1b C 32.1974 -16.6728
14 C1b C 32.1741 -18.0647
15 O1a O 30.8810 -20.1847
16 C1b C 33.4089 -15.9796
17 C1b C 33.3797 -18.7636
18 C1b C 34.6086 -16.6728
19 C1b C 34.5912 -18.0647
20 C6a C 35.8199 -15.9796
21 C1b C 35.7966 -18.7636
22 O6a O 37.0198 -16.6728
23 O6a O 35.8199 -14.5819
24 C1a C 37.0022 -18.0647
25 C1c C 27.3023 -22.4050
26 C5a C 28.5016 -23.0963
27 N1b N 26.1087 -23.0963
28 C1b C 27.3256 -20.7816
29 O5a O 28.5016 -24.4725
30 C5a C 24.9166 -22.4050
31 S2a S 26.0728 -20.0136
32 C1b C 23.7230 -23.0963
33 O5a O 24.9166 -21.0298
34 C1b C 22.5297 -22.4050
35 C1c C 21.3304 -23.0963
36 C6a C 20.1441 -22.4050
37 N1a N 21.3304 -24.4725
38 O6a O 18.9506 -23.0963
39 O6a O 20.1498 -21.0298
40 N1b N 29.7006 -22.4043
41 C1b C 30.8927 -23.0958
42 C6a C 32.0917 -22.4038
43 O6a O 33.2909 -23.0951
44 O6a O 32.0913 -21.0273
BOND 44
1 19 21 1
2 20 22 1
3 20 23 2
4 21 24 1
5 5 7 1
6 1 2 1
7 1 3 1
8 1 4 1
9 2 5 1
10 2 6 1 #Up
11 3 7 1
12 3 8 2
13 4 9 1
14 6 10 2
15 9 11 1
16 10 12 1
17 11 13 1
18 12 14 1
19 12 15 1 #Down
20 25 26 1
21 25 27 1
22 25 28 1 #Up
23 26 29 2
24 27 30 1
25 28 31 1
26 30 32 1
27 30 33 2
28 32 34 1
29 34 35 1
30 35 36 1 #Down
31 35 37 1
32 36 38 1
33 36 39 2
34 13 16 1
35 26 40 1
36 14 17 1
37 40 41 1
38 16 18 1
39 41 42 1
40 17 19 1
41 42 43 2
42 18 20 1
43 42 44 1
44 31 5 1
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