ATOM 53
1 C8y C 23.6876 -14.8053
2 C8y C 24.8973 -14.1040
3 C8y C 23.6876 -16.2022
4 C8y C 22.4662 -14.1040
5 C8y C 24.9033 -12.7015
6 C1y C 26.1071 -14.8113
7 C8y C 24.8916 -16.8975
8 C8x C 22.4838 -16.8918
9 C8y C 22.4721 -12.7074
10 O2a O 21.2507 -14.8053
11 C8y C 23.6876 -12.0002
12 C1x C 26.1245 -12.0061
13 C1x C 26.1011 -16.2079
14 N1y N 27.3226 -14.1157
15 C8x C 24.8916 -18.2884
16 C8y C 22.4838 -18.2825
17 O2a O 21.2507 -12.0002
18 C1a C 20.0468 -14.0983
19 O2a O 23.6819 -10.6172
20 C1x C 27.3285 -12.7132
21 C1a C 28.5323 -14.8170
22 C8y C 23.6819 -18.9838
23 O2a O 21.2507 -18.9721
24 C1a C 20.0410 -12.6957
25 C1a C 22.4662 -9.9063
26 O2a O 23.6759 -20.3806
27 C1a C 20.0468 -18.2593
28 C8y C 24.8916 -21.0819
29 C8y C 26.1128 -20.3864
30 C8x C 24.9499 -22.4902
31 C1b C 26.1071 -18.9838
32 C8x C 27.3168 -21.0936
33 C8y C 26.0954 -23.1973
34 C1y C 27.3109 -18.2767
35 C8y C 27.3109 -22.5019
36 O2a O 26.0896 -24.5941
37 C8y C 28.5265 -18.9838
38 N1y N 27.3109 -16.8741
39 O2a O 28.5206 -23.2032
40 C1a C 25.0902 -25.5816
41 C8y C 29.7420 -18.2825
42 C8x C 28.5265 -20.3864
43 C1x C 28.5323 -16.1788
44 C1a C 25.5354 -17.3654
45 C1a C 28.5206 -24.5999
46 C8x C 30.9576 -18.9897
47 C1x C 29.7420 -16.8801
48 C8y C 29.7420 -21.0876
49 C8y C 30.9576 -20.3923
50 O2a O 29.7362 -22.4785
51 O2a O 32.1614 -21.0819
52 C1a C 30.9459 -23.1856
53 C1a C 33.3771 -20.3747
BOND 59
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 8 16 2
16 9 17 1
17 10 18 1
18 11 19 1
19 12 20 1
20 14 21 1
21 15 22 2
22 16 23 1
23 17 24 1
24 19 25 1
25 22 26 1
26 23 27 1
27 26 28 1
28 28 29 1
29 28 30 2
30 29 31 1
31 29 32 2
32 30 33 1
33 31 34 1
34 32 35 1
35 33 36 1
36 34 37 1
37 34 38 1
38 35 39 1
39 36 40 1
40 37 41 1
41 37 42 2
42 38 43 1
43 38 44 1
44 39 45 1
45 41 46 2
46 41 47 1
47 42 48 1
48 46 49 1
49 48 50 1
50 49 51 1
51 50 52 1
52 51 53 1
53 7 13 1
54 9 11 1
55 14 20 1
56 16 22 1
57 33 35 2
58 43 47 1
59 48 49 2
|