ATOM 43
1 C5a C 29.3959 -22.0969
2 C1c C 29.3971 -23.4677
3 O5a O 30.5788 -21.4175
4 N1b N 28.3012 -24.2689
5 C5a C 27.1169 -23.5783
6 C1c C 25.9438 -24.2636
7 C1c C 24.7638 -23.5783
8 C1b C 23.5837 -24.2636
9 O5a O 27.1181 -22.2144
10 N1c N 25.9438 -25.6275
11 C1a C 24.7604 -26.3059
12 C1a C 27.1203 -26.3059
13 C1c C 30.5724 -24.1436
14 C1b C 31.7524 -23.4652
15 C1a C 32.9326 -24.1436
16 C1a C 30.5722 -25.5074
17 C5x C 29.9688 -19.0710
18 C8x C 28.2812 -14.7852
19 C8y C 28.2812 -16.1490
20 C8x C 29.4676 -16.8274
21 C8x C 30.6468 -16.1490
22 C8y C 30.6468 -14.7852
23 C8y C 29.4676 -14.0997
24 C2x C 31.8237 -14.1007
25 O2x O 27.0981 -16.8279
26 C2x C 33.5154 -15.0838
27 N1x N 33.5126 -17.0382
28 C5x C 32.3260 -17.7000
29 O5x O 29.9657 -17.7071
30 O5x O 31.1466 -17.0147
31 C1y C 28.7786 -19.7533
32 C1y C 27.6113 -19.0630
33 C1x C 26.5906 -19.9681
34 C1x C 27.1357 -21.2165
35 N1y N 28.4874 -21.0795
36 C1y C 32.3290 -19.0639
37 N1y N 31.1465 -19.7543
38 C1x C 31.4353 -21.0883
39 C1x C 32.7937 -21.2298
40 C1x C 33.3449 -19.9765
41 C1a C 24.7638 -22.2144
42 C1a C 22.3995 -23.5797
43 O1a O 29.4693 -12.7360
BOND 46
1 23 18 2
2 10 12 1
3 22 24 1
4 1 2 1
5 19 25 1
6 2 13 1
7 24 26 2
8 6 7 1
9 26 27 1
10 13 14 1
11 36 28 1
12 28 27 1
13 2 4 1 #Down
14 17 29 2
15 14 15 1
16 28 30 2
17 7 8 1
18 13 16 1 #Down
19 31 17 1
20 17 37 1
21 31 32 1
22 32 33 1
23 33 34 1
24 34 35 1
25 35 31 1
26 25 32 1
27 35 1 1
28 5 9 2
29 4 5 1
30 6 10 1 #Up
31 1 3 2
32 10 11 1
33 5 6 1
34 18 19 1
35 36 37 1
36 37 38 1
37 38 39 1
38 39 40 1
39 40 36 1
40 19 20 2
41 20 21 1
42 7 41 1 #Down
43 21 22 2
44 8 42 1
45 22 23 1
46 23 43 1
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