ATOM 47
1 C1c C 30.0735 -16.1877
2 C1b C 30.0735 -17.5133
3 C5a C 31.3293 -15.4900
4 N1b N 28.8874 -15.4900
5 C8y C 31.1200 -18.3505
6 N1b N 32.5154 -16.1877
7 O5a O 31.3293 -14.0947
8 C5a C 27.7013 -16.1877
9 C8x C 31.1503 -19.7558
10 N5x N 32.5028 -17.9670
11 C1c C 33.7014 -15.4900
12 C1c C 26.4456 -15.4900
13 O5a O 27.7013 -17.5830
14 N4x N 32.4208 -20.2774
15 C8x C 33.2708 -19.1194
16 C1b C 33.7014 -13.4669
17 C1c C 34.9572 -16.1877
18 C1b C 26.4456 -14.0947
19 N1b N 25.2595 -16.1877
20 C1y C 34.6782 -12.6296
21 C1c C 36.1433 -15.4900
22 O1a O 34.9571 -17.3738
23 C8y C 27.7013 -13.3970
24 C5a C 24.0037 -15.4900
25 C1x C 35.8642 -13.3272
26 C1x C 34.6782 -11.2342
27 C1b C 37.3294 -16.1877
28 C8x C 28.8874 -14.0947
29 C8x C 27.7013 -12.0015
30 C1b C 22.8176 -16.1877
31 O5a O 24.0037 -14.0947
32 C1x C 37.0503 -12.6296
33 C1x C 35.8642 -10.5365
34 C1c C 38.5852 -15.4900
35 C8x C 30.0735 -13.3970
36 C8x C 28.8874 -11.3039
37 C1d C 21.6315 -15.4900
38 C1x C 37.0503 -11.2342
39 C1a C 39.7713 -16.1877
40 C1a C 38.5852 -14.0947
41 C8y C 30.0735 -12.0015
42 O2a O 31.3293 -11.3039
43 C1a C 32.5041 -11.9953
44 O1a O 36.1436 -14.0805
45 N1a N 20.4241 -14.7929
46 C1a C 22.3350 -14.2831
47 C1a C 20.9311 -16.6918
BOND 49
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 2
7 4 8 1
8 5 9 2
9 5 10 1
10 6 11 1
11 8 12 1
12 8 13 2
13 9 14 1
14 10 15 2
15 11 16 1 #Up
16 11 17 1
17 12 18 1 #Up
18 12 19 1
19 16 20 1
20 17 21 1
21 17 22 1 #Down
22 18 23 1
23 19 24 1
24 20 25 1
25 20 26 1
26 21 27 1
27 23 28 2
28 23 29 1
29 24 30 1
30 24 31 2
31 25 32 1
32 26 33 1
33 27 34 1
34 28 35 1
35 29 36 2
36 30 37 1
37 32 38 1
38 34 39 1
39 34 40 1
40 35 41 2
41 41 42 1
42 14 15 1
43 33 38 1
44 36 41 1
45 42 43 1
46 21 44 1 #Up
47 37 45 1
48 37 46 1
49 37 47 1
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