ATOM 46
1 C8y C 15.6852 -18.6963
2 C8y C 15.6852 -20.0966
3 C8x C 16.8755 -20.7968
4 C8y C 18.0658 -20.0966
5 C8x C 18.0658 -18.6963
6 C8x C 16.8755 -17.9962
7 O2a O 14.4249 -20.7968
8 O2a O 14.4249 -17.9962
9 C1a C 14.4249 -22.1971
10 C2c C 14.4249 -16.5958
11 C5a C 15.6852 -15.8957
12 C2b C 13.2346 -15.8957
13 N1b N 15.6852 -14.4953
14 C1b C 16.8755 -13.7952
15 C1b C 16.8755 -12.3948
16 C2b C 19.3261 -20.7968
17 C2b C 20.5163 -20.0966
18 C5a C 21.7066 -20.7968
19 N1b N 22.8969 -20.0966
20 C1b C 24.0872 -20.7968
21 O5a O 21.7066 -22.1971
22 C1b C 25.2774 -20.0966
23 C8y C 26.4677 -20.7968
24 C8x C 26.4677 -22.1971
25 C8x C 27.7280 -22.8973
26 C8y C 28.9183 -22.1971
27 C8x C 28.9183 -20.7968
28 C8x C 27.7280 -20.0966
29 O1a O 30.1086 -22.8973
30 C8y C 12.0184 -16.5914
31 C8x C 10.8244 -15.8954
32 C8y C 9.6091 -16.5904
33 C8y C 9.6033 -17.9904
34 C8x C 10.7972 -18.6863
35 C8x C 12.0126 -17.9914
36 O1a O 8.3782 -18.6910
37 O2a O 8.3852 -15.8769
38 C1a C 7.1755 -16.5686
39 C8y C 18.0879 -11.6948
40 C8x C 19.2772 -12.3816
41 C8x C 20.4897 -11.6818
42 C8y C 20.4899 -10.2818
43 C8x C 19.3007 -9.5950
44 C8x C 18.0881 -10.2948
45 O1a O 21.7138 -9.5752
46 O5a O 16.8855 -16.6020
BOND 49
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 8 10 1
11 10 11 1
12 10 12 2
13 11 13 1
14 13 14 1
15 14 15 1
16 4 16 1
17 16 17 2
18 17 18 1
19 18 19 1
20 19 20 1
21 18 21 2
22 20 22 1
23 22 23 1
24 23 24 2
25 24 25 1
26 25 26 2
27 26 27 1
28 27 28 2
29 23 28 1
30 26 29 1
31 12 30 1
32 30 31 2
33 31 32 1
34 32 33 2
35 33 34 1
36 34 35 2
37 30 35 1
38 33 36 1
39 32 37 1
40 37 38 1
41 15 39 1
42 39 40 2
43 40 41 1
44 41 42 2
45 42 43 1
46 43 44 2
47 39 44 1
48 42 45 1
49 11 46 2
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