ATOM 47
1 C6a C 34.4827 -21.4647
2 C1b C 33.2852 -20.7603
3 O6a O 35.6802 -20.7603
4 O6a O 34.4827 -22.8735
5 C1b C 32.0877 -21.4647
6 C1c C 30.8902 -20.7603
7 N1b N 29.6927 -21.4647
8 C5a C 28.4952 -20.7603
9 C6a C 30.8902 -19.3515
10 O6a O 29.6927 -18.6471
11 O6a O 32.0877 -18.6471
12 C1b C 27.2977 -21.4647
13 O5a O 28.4952 -19.3515
14 C1b C 26.1002 -20.7603
15 C1c C 24.9027 -21.4647
16 N1b N 23.7052 -20.7603
17 C6a C 24.9027 -22.8735
18 O6a O 26.1002 -23.5780
19 O6a O 23.7052 -23.5780
20 C5a C 22.5077 -21.4647
21 C8y C 21.3102 -20.7603
22 O5a O 22.5077 -22.8735
23 C8x C 21.3102 -19.3515
24 C8x C 20.0422 -18.6471
25 C8y C 18.8447 -19.3515
26 C8x C 18.8447 -20.7603
27 C8x C 20.0422 -21.4647
28 N1c N 17.6472 -18.6471
29 C1y C 16.4205 -19.3446
30 C1b C 17.6587 -17.2382
31 C3b C 18.8757 -16.5487
32 C3a C 20.0958 -15.8443
33 C8y C 15.1107 -18.9134
34 C8y C 14.2958 -20.0260
35 C1x C 15.1021 -21.1447
36 C1x C 16.4152 -20.7237
37 C8x C 14.5427 -17.6243
38 C8y C 13.1421 -17.4716
39 C8y C 12.3273 -18.5841
40 C8x C 12.8953 -19.8732
41 C8y C 12.5741 -16.1823
42 N5x N 11.1736 -16.0297
43 C8y C 10.3587 -17.1421
44 N4x N 10.9267 -18.4314
45 O5x O 13.4098 -15.0416
46 C1b C 8.9209 -16.9860
47 O1a O 8.0774 -18.1390
BOND 50
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 6 9 1 #Up
9 9 10 2
10 9 11 1
11 8 12 1
12 8 13 2
13 12 14 1
14 14 15 1
15 15 16 1
16 15 17 1 #Up
17 17 18 1
18 17 19 2
19 16 20 1
20 20 21 1
21 20 22 2
22 21 23 2
23 23 24 1
24 24 25 2
25 25 26 1
26 26 27 2
27 21 27 1
28 25 28 1
29 29 28 1 #Up
30 28 30 1
31 30 31 1
32 31 32 3
33 29 33 1
34 33 34 1
35 34 35 1
36 35 36 1
37 29 36 1
38 33 37 2
39 37 38 1
40 38 39 2
41 39 40 1
42 34 40 2
43 38 41 1
44 41 42 1
45 42 43 2
46 43 44 1
47 39 44 1
48 41 45 2
49 43 46 1
50 46 47 1
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