ATOM 45
1 C1z C 26.4950 -15.8429
2 C1z C 27.4462 -15.0844
3 C1y C 26.4134 -14.5360
4 C1y C 26.4950 -17.1673
5 C1y C 25.3689 -15.1894
6 C1z C 28.6656 -15.3644
7 C1x C 27.2011 -13.9115
8 O1a O 28.1696 -14.2208
9 C1z C 28.7355 -17.6459
10 N1y N 24.8904 -16.5898
11 C1z C 25.3689 -17.8210
12 C1x C 27.4927 -17.9493
13 C1x C 24.2195 -15.8429
14 O2a O 25.3689 -13.8708
15 C1z C 29.2548 -16.4497
16 C1y C 29.5115 -14.2967
17 O1a O 29.6866 -15.3587
18 C1y C 28.6831 -13.0772
19 O1a O 29.5117 -18.7078
20 C1x C 24.8963 -18.9588
21 C1b C 23.6943 -15.9013
22 C1x C 24.2195 -17.1616
23 C1b C 25.9466 -18.9588
24 C1a C 24.0853 -13.2173
25 C1x C 31.3494 -15.7379
26 O1a O 30.3868 -17.0975
27 O2a O 31.5363 -13.1823
28 C1y C 29.7217 -13.0715
29 C1a C 22.5098 -16.5839
30 O7a O 25.9406 -20.2715
31 C1a C 32.9540 -13.7948
32 O2a O 30.5036 -11.6012
33 C7a C 24.8496 -20.8551
34 C1a C 29.9843 -10.3934
35 C8y C 24.8437 -22.0336
36 O6a O 23.8285 -20.2657
37 C8y C 23.8227 -22.6054
38 C8x C 25.8532 -22.6171
39 C8x C 23.8110 -23.7724
40 N1b N 22.8132 -22.0162
41 C8x C 25.8473 -23.7899
42 C8x C 24.8263 -24.3792
43 C5a C 21.8039 -22.5880
44 C1a C 20.7944 -22.0103
45 O5a O 21.7979 -23.7491
BOND 51
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 9 3 1 #Down
9 3 10 1
10 4 11 1
11 4 12 1
12 5 13 1
13 5 14 1 #Down
14 6 15 1
15 6 16 1
16 6 17 1 #Up
17 7 18 1
18 9 19 1
19 10 20 1
20 10 21 1
21 11 22 1
22 11 23 1 #Up
23 14 24 1
24 15 25 1
25 15 26 1 #Up
26 16 27 1 #Down
27 18 28 1
28 21 29 1
29 23 30 1
30 27 31 1
31 28 32 1 #Up
32 30 33 1
33 32 34 1
34 33 35 1
35 33 36 2
36 35 37 2
37 35 38 1
38 37 39 1
39 37 40 1
40 38 41 2
41 39 42 2
42 40 43 1
43 43 44 1
44 43 45 2
45 9 12 1
46 9 15 1
47 11 20 1 #Down
48 13 22 1
49 16 18 1
50 25 28 1
51 41 42 1
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