ATOM 50
1 C2y C 25.7172 -22.5663
2 C1z C 24.5173 -21.8686
3 C2y C 25.7172 -23.9705
4 C2b C 26.9341 -21.8770
5 C1x C 23.2919 -22.5663
6 C1a C 23.7939 -20.6516
7 C1a C 25.1982 -20.6516
8 C5x C 24.5173 -24.6769
9 C1a C 26.9341 -24.6769
10 C2b C 28.1427 -22.5749
11 C1y C 23.2919 -23.9705
12 O5x O 24.5173 -26.0811
13 C2c C 29.3510 -21.8856
14 O7a O 22.0920 -24.6685
15 C2b C 30.5682 -22.5833
16 C1a C 29.3510 -20.4814
17 C2b C 31.7681 -21.8940
18 C2b C 32.9934 -22.5919
19 C2c C 34.2020 -21.9026
20 C2b C 35.4189 -22.6003
21 C1a C 34.2104 -20.4984
22 C2b C 36.6272 -21.9110
23 C2b C 37.8358 -22.6090
24 C2b C 39.0441 -21.9110
25 C2c C 40.2610 -22.6090
26 C2b C 41.4696 -21.9197
27 C1a C 40.2526 -24.0130
28 C2b C 42.6865 -22.6174
29 C2b C 43.9034 -21.9281
30 C2c C 45.1204 -22.6260
31 C2b C 46.3289 -21.9367
32 C1a C 45.1033 -24.0386
33 C2b C 47.5372 -22.6344
34 C2y C 48.7458 -21.9451
35 C1z C 49.9541 -22.6430
36 C2y C 48.7458 -20.5408
37 C1x C 51.1710 -21.9451
38 C1a C 50.6520 -23.8513
39 C1a C 49.5881 -23.9959
40 C5x C 49.9541 -19.8431
41 C1a C 47.5372 -19.8345
42 C1y C 51.1710 -20.5495
43 O5x O 49.9541 -18.4389
44 O7a O 52.3880 -19.8261
45 C7a C 20.8867 -23.9774
46 R R 19.6421 -24.7005
47 O6a O 20.8822 -22.6102
48 C7a C 53.5811 -20.4948
49 R R 54.7549 -19.7970
50 O6a O 53.5994 -21.9091
BOND 51
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 2
10 5 11 1
11 8 12 2
12 10 13 1
13 11 14 1 #Up
14 13 15 2
15 13 16 1
16 15 17 1
17 17 18 2
18 18 19 1
19 19 20 2
20 19 21 1
21 20 22 1
22 22 23 2
23 23 24 1
24 24 25 2
25 25 26 1
26 25 27 1
27 26 28 2
28 28 29 1
29 29 30 2
30 30 31 1
31 30 32 1
32 31 33 2
33 33 34 1
34 34 35 1
35 34 36 2
36 35 37 1
37 35 38 1
38 35 39 1
39 36 40 1
40 36 41 1
41 37 42 1
42 40 43 2
43 42 44 1 #Up
44 8 11 1
45 40 42 1
46 14 45 1
47 45 46 1
48 45 47 2
49 44 48 1
50 48 49 1
51 48 50 2
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