ATOM 45
1 C8x C 34.0218 -19.0578
2 C8x C 34.0335 -20.3720
3 C8x C 32.8761 -18.3959
4 C8x C 32.8936 -21.0455
5 C8y C 31.7420 -19.0695
6 C8x C 31.6779 -20.3837
7 C1z C 29.4811 -15.1047
8 N1y N 29.4752 -16.4258
9 C1y C 30.6268 -14.4372
10 O2x O 28.3235 -14.4372
11 O1a O 29.4694 -13.7765
12 C1y C 30.6151 -17.0853
13 C5x C 27.1836 -16.4317
14 N1y N 31.7669 -15.1106
15 C1x C 30.6268 -13.1230
16 C1z C 27.1836 -15.1047
17 C5x C 31.7610 -16.4375
18 C1b C 30.6093 -18.4064
19 O5x O 26.2295 -17.3670
20 C1x C 32.9195 -14.4489
21 C1x C 32.9255 -13.1288
22 N1b N 25.4942 -14.3611
23 C1c C 27.1779 -13.2699
24 O5x O 32.9195 -17.0970
25 C5a C 23.9905 -15.0872
26 C1y C 23.9905 -16.4200
27 O5a O 22.8389 -14.4196
28 C2x C 22.8330 -17.0678
29 C1x C 25.1304 -17.0678
30 C2y C 22.8330 -18.3947
31 N1y N 25.1304 -18.3947
32 C8y C 21.6873 -19.0566
33 C1y C 23.9905 -19.0681
34 C1a C 26.2892 -19.0681
35 C8y C 21.6873 -20.3825
36 C8x C 20.5414 -18.3890
37 C1x C 23.9788 -20.3942
38 C8y C 22.8272 -21.0499
39 C8y C 20.5356 -21.0499
40 C8x C 19.3957 -19.0566
41 C8x C 22.8272 -22.3711
42 N4x N 20.5356 -22.3711
43 C8x C 19.3957 -20.3825
44 C1a C 25.9779 -12.5747
45 C1a C 28.3583 -12.5676
BOND 52
1 5 6 2
2 1 2 1
3 7 8 1
4 7 9 1
5 7 10 1
6 7 11 1 #Down
7 8 12 1
8 8 13 1
9 9 14 1
10 9 15 1
11 10 16 1
12 12 17 1
13 12 18 1 #Down
14 13 19 2
15 14 20 1
16 15 21 1
17 16 22 1 #Down
18 16 23 1 #Up
19 17 24 2
20 22 25 1
21 26 25 1 #Up
22 25 27 2
23 26 28 1
24 26 29 1
25 28 30 2
26 29 31 1
27 30 32 1
28 30 33 1
29 31 34 1
30 32 35 1
31 32 36 2
32 33 37 1
33 35 38 1
34 35 39 2
35 36 40 1
36 38 41 2
37 39 42 1
38 39 43 1
39 13 16 1
40 14 17 1
41 20 21 1
42 31 33 1
43 37 38 1
44 40 43 2
45 41 42 1
46 18 5 1
47 1 3 2
48 23 44 1
49 2 4 2
50 23 45 1
51 3 5 1
52 4 6 1
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