ATOM 47
1 C8y C 26.1690 -20.1839
2 C8y C 25.1452 -20.7701
3 C8y C 26.1847 -19.0112
4 C5x C 27.1704 -20.7856
5 C8y C 24.1265 -20.0611
6 C5a C 25.1452 -21.8779
7 C5x C 27.1961 -18.4405
8 C8y C 25.1762 -18.3631
9 C2x C 28.2057 -20.2045
10 O5x O 27.1600 -21.9634
11 C8y C 24.1625 -18.9132
12 O5a O 25.9719 -22.7870
13 C2y C 28.2057 -19.0319
14 O5x O 27.2116 -17.2574
15 C1a C 24.1470 -17.7354
16 C2c C 21.8439 -21.9383
17 N1b N 29.2298 -18.4611
18 C5a C 29.2401 -17.2885
19 C2c C 30.2577 -16.7219
20 O5a O 28.2315 -16.6972
21 C2b C 30.2731 -15.5545
22 C2b C 29.3462 -14.9527
23 C1a C 31.2978 -17.3451
24 C1a C 20.9783 -22.7875
25 O1a O 23.1466 -20.6537
26 O1a O 25.1661 -17.1236
27 C2b C 29.3037 -13.7206
28 C1c C 28.2425 -13.0760
29 C1c C 27.1930 -13.7206
30 C1c C 26.1376 -13.0998
31 C1c C 25.0823 -13.7206
32 C1c C 24.0269 -13.0998
33 C1y C 22.9716 -13.7206
34 C1y C 21.9162 -13.0998
35 C1y C 20.8359 -13.7118
36 C1y C 20.8259 -14.9535
37 C2b C 21.8112 -15.5742
38 O7x O 22.9614 -14.9623
39 C1a C 28.2397 -11.8582
40 C1a C 24.0269 -11.8582
41 C1a C 26.1376 -11.8582
42 O1a O 25.0823 -14.9623
43 O1a O 27.2048 -14.9622
44 O1a O 19.7882 -13.0954
45 C7x C 20.2241 -15.6816
46 C1a C 21.9277 -11.6901
47 O6a O 19.0117 -16.3816
BOND 50
1 2 6 1
2 3 7 1
3 3 8 1
4 4 9 1
5 4 10 2
6 5 11 1
7 6 12 2
8 7 13 1
9 7 14 2
10 11 15 1
11 13 17 1
12 17 18 1
13 18 19 1
14 18 20 2
15 19 21 2
16 21 22 1
17 8 11 2
18 9 13 2
19 19 23 1
20 1 2 1
21 1 3 2
22 16 24 1
23 1 4 1
24 5 25 1
25 16 6 1
26 2 5 2
27 8 26 1
28 22 27 2
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 33 38 1 #Down
40 28 39 1 #Up
41 32 40 1 #Down
42 30 41 1 #Down
43 31 42 1 #Up
44 29 43 1 #Down
45 35 44 1 #Down
46 37 16 2
47 36 45 1 #Down
48 38 45 1
49 34 46 1 #Up
50 45 47 2
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