ATOM 44
1 C5a C 29.4139 -22.4388
2 C1c C 29.4151 -23.8033
3 O5a O 30.5974 -21.7592
4 N1b N 28.3187 -24.6120
5 C5a C 27.1338 -23.9209
6 C1c C 25.9602 -24.6067
7 C1c C 24.7796 -23.9209
8 C1b C 23.5990 -24.6067
9 O5a O 27.1350 -22.5564
10 N1c N 25.9602 -25.9711
11 C1a C 24.7762 -26.6498
12 C1a C 27.1372 -26.6498
13 C1c C 30.5910 -24.4864
14 C1b C 31.7716 -23.8008
15 C1a C 32.9523 -24.4864
16 C1a C 30.5908 -25.8510
17 C5x C 29.9871 -19.4114
18 C8x C 28.2986 -15.1166
19 C8y C 28.2986 -16.4881
20 C8x C 29.4857 -17.1668
21 C8x C 30.6655 -16.4881
22 C8y C 30.6655 -15.1166
23 C8y C 29.4857 -14.4379
24 C2x C 31.8428 -14.4387
25 O2x O 27.1150 -17.1675
26 C2x C 33.5354 -15.4152
27 N1x N 33.5326 -17.3707
28 C5x C 32.3454 -18.0399
29 O5x O 29.9840 -18.0469
30 O5x O 31.1655 -17.3541
31 C1y C 28.7963 -20.0942
32 C1y C 27.6284 -19.4034
33 C1x C 26.6073 -20.3090
34 C1x C 27.1526 -21.5510
35 N1y N 28.5050 -21.4211
36 C1y C 32.3485 -19.4045
37 N1y N 31.1653 -20.0950
38 C1x C 31.4543 -21.4297
39 C1x C 32.8134 -21.5643
40 C1x C 33.3648 -20.3173
41 C1a C 24.7796 -22.5564
42 C1a C 22.4141 -23.9224
43 O2a O 29.4874 -13.0733
44 C1a C 30.6722 -12.3890
BOND 47
1 10 12 1
2 22 24 1
3 1 2 1
4 19 25 1
5 2 13 1
6 24 26 2
7 6 7 1
8 26 27 1
9 13 14 1
10 36 28 1
11 28 27 1
12 2 4 1 #Down
13 17 29 2
14 14 15 1
15 28 30 2
16 7 8 1
17 13 16 1 #Down
18 31 17 1
19 17 37 1
20 31 32 1
21 32 33 1
22 33 34 1
23 34 35 1
24 35 31 1
25 25 32 1
26 35 1 1
27 5 9 2
28 4 5 1
29 6 10 1 #Up
30 1 3 2
31 10 11 1
32 5 6 1
33 18 19 1
34 36 37 1
35 37 38 1
36 38 39 1
37 39 40 1
38 40 36 1
39 19 20 2
40 20 21 1
41 7 41 1 #Down
42 21 22 2
43 8 42 1
44 22 23 1
45 23 43 1
46 23 18 2
47 43 44 1
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