ATOM 47
1 C8y C 15.6518 -18.6865
2 C8y C 15.6518 -20.0899
3 C8x C 16.8671 -20.7916
4 C8y C 18.0825 -20.0899
5 C8x C 18.0825 -18.6865
6 C8x C 16.8671 -17.9848
7 O2a O 14.4365 -20.7916
8 O2a O 14.4365 -17.9848
9 C1a C 14.4365 -22.1949
10 C1c C 14.4365 -16.5815
11 C1c C 15.6518 -15.8798
12 C5a C 13.2381 -15.8894
13 N1b N 13.2381 -14.4860
14 O1a O 16.8671 -16.5815
15 C8y C 15.6518 -14.4764
16 C8x C 16.8671 -13.7747
17 C8y C 16.8671 -12.3714
18 C8y C 15.6518 -11.6697
19 C8x C 14.4365 -12.3714
20 C8x C 14.4365 -13.7747
21 C1b C 12.0228 -13.7844
22 O1a O 15.6518 -10.2663
23 O2a O 18.0655 -11.6793
24 C1a C 19.2557 -12.3665
25 O5a O 12.0479 -16.5766
26 C1b C 12.0228 -12.3810
27 C8y C 10.8073 -11.6793
28 C8x C 10.8073 -10.2663
29 C8x C 9.5920 -9.5646
30 C8y C 8.3766 -10.2663
31 C8x C 8.3767 -11.6793
32 C8x C 9.5920 -12.3810
33 O1a O 7.1445 -9.5549
34 C2b C 19.3166 -20.8026
35 C2b C 20.5247 -20.1052
36 C5a C 21.7098 -20.7897
37 N1b N 22.9067 -20.0987
38 C1b C 24.0974 -20.7864
39 O5a O 21.7097 -22.1947
40 C1b C 25.2915 -20.0970
41 C8y C 26.4838 -20.7855
42 C8x C 26.4838 -22.1947
43 C8x C 27.6991 -22.8964
44 C8y C 28.9145 -22.1947
45 C8x C 28.9145 -20.7856
46 C8x C 27.6992 -20.0839
47 O1a O 30.1293 -22.8961
BOND 50
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 1 8 1
9 7 9 1
10 10 8 1 #Up
11 10 11 1
12 10 12 1
13 12 13 1
14 11 14 1 #Up
15 11 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 13 21 1
23 18 22 1
24 17 23 1
25 23 24 1
26 12 25 2
27 21 26 1
28 26 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 30 31 1
33 31 32 2
34 27 32 1
35 30 33 1
36 4 34 1
37 34 35 2
38 35 36 1
39 36 37 1
40 37 38 1
41 36 39 2
42 38 40 1
43 40 41 1
44 41 42 2
45 42 43 1
46 43 44 2
47 44 45 1
48 45 46 2
49 41 46 1
50 44 47 1
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