ATOM 43
1 C1y C 26.6771 -19.5932
2 C1y C 26.6771 -20.9978
3 C1x C 27.8711 -21.7002
4 C1y C 29.1353 -20.9978
5 C1y C 29.1353 -19.5932
6 O2x O 27.8711 -18.8909
7 C1a C 25.4832 -18.8909
8 N1a N 30.3292 -21.7002
9 O2a O 30.3292 -18.8909
10 N1a N 25.4832 -21.7002
11 C1y C 29.1353 -15.3793
12 C1y C 29.1353 -16.7840
13 C1y C 30.3292 -17.4863
14 C1y C 31.5934 -16.7840
15 C1y C 31.5934 -15.3793
16 C1y C 30.3292 -14.6770
17 N1b N 30.3292 -13.2723
18 O1a O 27.9413 -14.6770
19 O1a O 32.7874 -14.6770
20 O1a O 27.9413 -17.4863
21 O1a O 32.7874 -17.4863
22 C5a C 31.5153 -12.5878
23 O5a O 32.7212 -13.2845
24 C1c C 31.5155 -11.2001
25 N1b N 32.7164 -10.5069
26 C1b C 30.2916 -10.4931
27 C1y C 30.2919 -9.1001
28 C5a C 33.9059 -11.1940
29 N1b N 35.0964 -10.5068
30 C1c C 36.2859 -11.1940
31 C6a C 37.4763 -10.5068
32 N1x N 31.4365 -8.2687
33 C2y C 30.9995 -6.9232
34 N1x N 29.5848 -6.9230
35 C1x C 29.1474 -8.2684
36 O5a O 33.9058 -12.5998
37 C1b C 36.2858 -12.5998
38 C1c C 37.4788 -13.2888
39 C1a C 38.6648 -12.6042
40 C1a C 37.4789 -14.6997
41 O6a O 38.6659 -11.1939
42 O6a O 37.4767 -9.1003
43 N2a N 31.8229 -5.7902
BOND 45
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Up
8 4 8 1 #Up
9 5 9 1 #Down
10 2 10 1 #Down
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 11 16 1
17 16 17 1 #Up
18 11 18 1 #Up
19 15 19 1 #Down
20 13 9 1 #Down
21 12 20 1 #Up
22 14 21 1 #Up
23 17 22 1
24 22 23 2
25 22 24 1
26 24 25 1
27 24 26 1
28 26 27 1
29 25 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 27 32 1
34 32 33 1
35 33 34 1
36 34 35 1
37 27 35 1
38 28 36 2
39 30 37 1
40 37 38 1
41 38 39 1
42 38 40 1
43 31 41 1
44 31 42 2
45 33 43 2
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