ATOM 47
1 N4y N 31.6308 -14.4222
2 C8y C 30.3768 -14.0041
3 C1y C 29.9587 -16.5123
4 C8x C 32.3972 -13.3771
5 C8y C 30.3768 -12.7501
6 N5x N 29.1924 -14.7008
7 O2x O 28.9137 -15.7459
8 C1y C 29.6104 -17.8360
9 N5x N 31.5612 -12.3320
10 C8y C 29.1924 -12.0534
11 C8x C 28.0776 -14.0738
12 C1y C 27.8686 -16.5123
13 C1y C 28.2866 -17.8360
14 O1a O 30.3768 -18.8811
15 N5x N 28.1473 -12.7501
16 N1a N 29.1924 -10.7993
17 C1b C 26.6145 -16.0943
18 O1a O 27.5203 -18.8811
19 O2b O 25.5695 -16.0943
20 P1b P 24.1761 -16.0943
21 O2c O 22.4343 -16.0943
22 O1c O 24.1761 -17.6270
23 O1c O 24.1761 -14.6312
24 P1b P 20.7622 -16.0943
25 O2b O 19.2991 -16.0943
26 O1c O 20.7622 -17.6270
27 O1c O 20.7622 -14.6312
28 C1b C 17.9754 -16.0943
29 C1y C 16.7213 -16.5123
30 O2x O 15.6762 -15.7459
31 C1y C 16.3729 -17.9057
32 C1y C 14.6312 -16.5820
33 C1y C 15.0492 -17.8360
34 O1a O 17.1393 -18.8811
35 O1a O 13.3074 -15.3279
36 O7a O 14.2828 -19.0204
37 C7a C 13.0984 -19.7171
38 C1b C 11.8443 -19.0204
39 C1b C 10.6599 -19.7171
40 C1b C 9.4755 -19.0204
41 C1b C 8.2215 -19.7171
42 C1y C 7.0371 -19.0204
43 O6a O 13.0984 -21.1106
44 S3x S 6.6887 -17.6967
45 S3x S 5.2953 -17.6270
46 C1x C 4.8076 -18.8811
47 C1x C 5.8527 -19.7868
BOND 51
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 21 24 1
24 24 25 1
25 24 26 1
26 24 27 2
27 25 28 1
28 29 28 1 #Down
29 29 30 1
30 29 31 1
31 30 32 1
32 31 33 1
33 31 34 1 #Up
34 32 35 1 #Down
35 33 36 1 #Up
36 5 9 1
37 11 15 1
38 12 13 1
39 32 33 1
40 36 37 1
41 37 38 1
42 38 39 1
43 39 40 1
44 40 41 1
45 42 41 1 #Down
46 37 43 2
47 42 44 1
48 44 45 1
49 45 46 1
50 46 47 1
51 42 47 1
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