ATOM 44
1 O2x O 23.2400 -17.2900
2 C1y C 23.2400 -18.6900
3 C1y C 24.4524 -19.3900
4 C1y C 25.6649 -18.6900
5 C1y C 25.6649 -17.2900
6 C1y C 24.4524 -16.5900
7 O1a O 26.8960 -19.4010
8 N1b N 26.8960 -16.5790
9 O1a O 24.4524 -20.7898
10 N1b N 22.0276 -19.3900
11 C8y C 20.8321 -18.6996
12 N5x N 20.8320 -17.2903
13 C8x C 19.6196 -16.5903
14 N5x N 18.4072 -17.2903
15 C8y C 18.4072 -18.6997
16 C8y C 19.6196 -19.3996
17 N5x N 17.3668 -19.6365
18 C8x C 17.9363 -20.9154
19 N4x N 19.3286 -20.7691
20 C1c C 24.4524 -15.1902
21 C1b C 23.2232 -14.4803
22 O1a O 23.2234 -13.0901
23 O1a O 25.6480 -14.4998
24 C5a C 28.0924 -17.2900
25 C1b C 29.3049 -16.5900
26 N1b N 30.5173 -17.2900
27 C5a C 31.7297 -16.5900
28 C1b C 32.9422 -17.2900
29 C1b C 34.1546 -16.5900
30 C1b C 35.3670 -17.2900
31 C1b C 36.5795 -16.5900
32 C1b C 37.7919 -17.2900
33 C1b C 39.0044 -16.5900
34 C1b C 40.2168 -17.2900
35 C1b C 41.4292 -16.5900
36 C1b C 42.6417 -17.2900
37 C1b C 43.8541 -16.5900
38 C1b C 45.0665 -17.2900
39 C1b C 46.2790 -16.5900
40 C1c C 47.4914 -17.2900
41 C1a C 48.7038 -16.5900
42 O5a O 28.0836 -18.6899
43 O5a O 31.7297 -15.1901
44 C1a C 47.4914 -18.6896
BOND 46
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 5 8 1
9 3 9 1
10 2 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 15 17 1
19 17 18 2
20 18 19 1
21 16 19 1
22 6 20 1
23 20 21 1
24 21 22 1
25 20 23 1
26 8 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 39 40 1
43 40 41 1
44 24 42 2
45 27 43 2
46 40 44 1
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