ATOM 49
1 C1z C 27.0140 -15.8089
2 C1y C 27.0140 -17.1561
3 C1y C 27.0023 -14.4793
4 C1y C 27.9763 -15.0393
5 C1y C 25.8652 -15.1500
6 C1z C 25.8652 -17.8151
7 C1y C 28.0230 -17.9492
8 C1z C 29.2825 -17.6460
9 N1y N 25.3812 -16.5671
10 C1y C 29.2125 -15.3249
11 C1x C 27.8655 -13.7795
12 C1x C 24.7047 -15.8089
13 O2a O 25.8652 -13.8088
14 C1x C 25.3871 -18.9697
15 C1x C 24.7047 -17.1502
16 C1b C 26.5183 -18.9697
17 O2a O 27.7312 -19.2496
18 C1z C 29.8073 -16.4213
19 O1a O 30.2796 -18.5264
20 C1b C 24.1741 -15.8732
21 C1y C 29.8599 -14.2404
22 C1y C 29.0201 -13.2898
23 C1a C 24.7105 -13.1440
24 O7a O 26.5126 -20.3052
25 C1a C 29.2128 -20.1477
26 C1x C 31.3703 -15.7041
27 O1a O 30.7929 -17.4069
28 C1a C 22.9669 -16.5671
29 O2a O 32.1225 -13.1090
30 C1y C 30.2796 -13.2839
31 C7a C 25.3404 -20.8941
32 C1a C 33.4229 -13.7330
33 O2a O 31.0787 -12.2110
34 C8y C 25.3345 -22.0895
35 O6a O 24.3782 -20.2935
36 C1a C 30.4780 -10.8522
37 C8y C 24.3024 -22.6728
38 C8x C 26.3551 -22.6845
39 N1y N 23.2760 -22.0721
40 C8x C 24.2907 -23.8566
41 C8x C 26.4192 -23.8740
42 C5x C 22.9319 -20.9233
43 C5x C 22.2962 -22.7427
44 C8x C 25.3171 -24.4688
45 C1x C 21.7481 -20.9057
46 O5x O 23.5210 -19.9027
47 C1y C 21.3515 -22.0254
48 O5x O 22.3371 -23.9324
49 C1a C 20.2144 -22.3696
BOND 56
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 8 3 1 #Down
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1 #Down
14 6 15 1
15 6 16 1 #Up
16 7 17 1 #Up
17 8 18 1
18 8 19 1
19 9 20 1
20 10 21 1
21 11 22 1
22 13 23 1
23 16 24 1
24 17 25 1
25 18 26 1
26 18 27 1 #Up
27 20 28 1
28 21 29 1 #Down
29 22 30 1
30 24 31 1
31 29 32 1
32 30 33 1 #Up
33 31 34 1
34 31 35 2
35 33 36 1
36 34 37 2
37 34 38 1
38 37 39 1
39 37 40 1
40 38 41 2
41 39 42 1
42 39 43 1
43 40 44 2
44 42 45 1
45 42 46 2
46 43 47 1
47 43 48 2
48 47 49 1
49 7 8 1
50 9 14 1
51 10 18 1
52 12 15 1
53 21 22 1
54 26 30 1
55 41 44 1
56 45 47 1
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