ATOM 54
1 C8y C 15.4000 -21.7000
2 C8x C 15.4000 -23.1000
3 C8y C 16.6124 -23.8000
4 C8y C 17.8249 -23.1000
5 C8y C 17.8249 -21.7000
6 C8y C 16.6124 -21.0000
7 C5x C 19.0373 -23.8000
8 C8y C 20.2497 -23.1000
9 C8y C 20.2497 -21.7000
10 C5x C 19.0373 -21.0000
11 C8x C 21.4622 -23.8000
12 C8y C 22.6746 -23.1000
13 C8y C 22.6746 -21.7000
14 C8y C 21.4622 -21.0000
15 C8y C 23.8870 -21.0000
16 C8x C 23.8870 -19.6000
17 C8y C 22.6746 -18.9000
18 O2x O 21.4622 -19.6000
19 C1y C 16.6124 -25.1998
20 C1y C 14.1876 -21.0000
21 O2x O 14.1876 -19.6002
22 C1y C 12.9751 -18.9002
23 C1y C 11.7627 -19.6002
24 C1z C 11.7627 -21.0000
25 C1x C 12.9751 -21.7000
26 C1x C 15.3832 -25.9097
27 C1y C 15.3834 -27.3097
28 C1y C 16.5959 -28.0096
29 C1y C 17.8251 -27.2997
30 O2x O 17.8249 -25.8997
31 C1z C 22.6746 -17.5000
32 O2x O 23.3746 -16.2876
33 C1y C 21.9746 -16.2876
34 C1y C 20.7759 -15.5957
35 C1y C 19.3759 -15.5957
36 O2x O 20.0759 -14.3833
37 C1a C 18.1680 -16.2932
38 C1a C 23.8870 -18.2000
39 O5x O 25.0866 -21.6927
40 C1a C 23.8911 -23.8023
41 O5x O 19.0373 -25.2000
42 O5x O 19.0373 -19.6000
43 O1a O 16.6124 -19.6002
44 C1a C 19.0563 -28.0106
45 O1a O 16.5960 -29.4000
46 N1c N 14.1877 -28.0002
47 C1a C 12.9919 -27.3098
48 C1a C 14.1878 -29.3998
49 C1a C 12.9751 -17.5002
50 O1a O 10.5482 -18.8990
51 N1c N 11.4003 -22.3523
52 C1a C 10.4104 -20.6376
53 C1a C 10.0627 -22.7105
54 C1a C 12.3839 -23.3358
BOND 61
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 13 15 1
18 15 16 1
19 16 17 2
20 17 18 1
21 14 18 1
22 3 19 1
23 1 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 20 25 1
30 19 26 1
31 26 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 19 30 1
36 17 31 1
37 31 32 1
38 31 33 1
39 33 32 1
40 33 34 1
41 34 35 1
42 34 36 1
43 36 35 1
44 35 37 1
45 31 38 1
46 15 39 2
47 12 40 1
48 7 41 2
49 10 42 2
50 6 43 1
51 29 44 1
52 28 45 1
53 27 46 1
54 46 47 1
55 46 48 1
56 22 49 1
57 23 50 1
58 24 51 1
59 24 52 1
60 51 53 1
61 51 54 1
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