ATOM 47
1 C1y C 27.3828 -16.3512
2 N1y N 27.3828 -17.7356
3 C2y C 28.5817 -18.4276
4 C2y C 29.7807 -17.7356
5 C1x C 29.7807 -16.3512
6 S2x S 28.5817 -15.6590
7 C1y C 25.9984 -16.3512
8 C5x C 25.9984 -17.7356
9 N1b N 24.7997 -15.6590
10 C5a C 23.6006 -16.3512
11 O5a O 23.6006 -17.7356
12 O5x O 24.7997 -18.4276
13 C1c C 22.4018 -15.6590
14 C1b C 30.9980 -18.4387
15 C6a C 28.5817 -19.8117
16 O6a O 27.3662 -20.5137
17 O6a O 29.7639 -20.4943 #-
18 N1b N 21.1836 -16.3628
19 C5a C 19.9861 -15.6713
20 O5a O 19.9862 -14.2873
21 N5y N 32.2136 -17.7373 #+
22 C8x C 33.4294 -18.4398
23 C8x C 34.6518 -17.7347
24 C8y C 34.6523 -16.3236
25 C8x C 33.4364 -15.6210
26 C8x C 32.2141 -16.3262
27 C1b C 35.8794 -15.6155
28 C1b C 37.0999 -16.3205
29 S4a S 38.2893 -15.6342
30 O1d O 39.5115 -14.9287 #-
31 O1d O 38.9883 -16.8458
32 O1d O 37.5780 -14.4015
33 C8y C 22.4018 -14.2223
34 C8x C 23.6159 -13.5214
35 C8x C 23.6158 -12.1103
36 C8x C 22.3938 -11.4047
37 C8x C 21.1797 -12.1057
38 C8x C 21.1797 -13.5168
39 C8y C 18.7547 -16.3819
40 C8x C 17.6173 -15.5541
41 N4x N 16.4742 -16.3816
42 C8y C 16.9079 -17.7244
43 N5x N 18.3190 -17.7268
44 C6a C 16.2002 -18.9452
45 O6a O 16.9036 -20.1685
46 O6a O 14.7711 -18.9427
47 Z Na 31.2200 -20.5100 #+
BOND 50
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 2 8 1
10 7 9 1 #Up
11 9 10 1
12 10 11 2
13 8 12 2
14 10 13 1
15 4 14 1
16 3 15 1
17 15 16 2
18 15 17 1
19 13 18 1
20 18 19 1
21 19 20 2
22 14 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 24 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 29 31 2
34 29 32 2
35 13 33 1 #Down
36 33 34 2
37 34 35 1
38 35 36 2
39 36 37 1
40 37 38 2
41 33 38 1
42 19 39 1
43 39 40 2
44 40 41 1
45 41 42 1
46 42 43 2
47 39 43 1
48 42 44 1
49 44 45 1
50 44 46 2
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