ATOM 42
1 R R 18.8300 -15.5400
2 C5a C 20.0424 -14.8400
3 O5a O 20.0424 -13.4400
4 N1b N 21.2549 -15.5400
5 C1c C 21.2549 -16.9400
6 C5a C 20.0424 -17.6400
7 O5a O 20.0424 -19.0400
8 N1b N 18.8300 -16.9400
9 R R 17.6176 -17.6400
10 C1b C 22.4673 -17.6400
11 C5a C 23.6797 -16.9400
12 O5a O 23.6797 -15.5400
13 N1b N 24.8922 -17.6400
14 C1y C 26.3146 -18.6900
15 O2x O 26.3146 -20.0900
16 C1y C 27.5270 -20.7900
17 C1y C 28.7395 -20.0900
18 C1y C 28.7395 -18.6900
19 C1y C 27.5270 -17.9900
20 N1b N 27.5270 -16.5900
21 O2a O 29.9519 -20.7900
22 O1a O 29.9519 -17.9900
23 C1b C 27.5270 -22.1900
24 O1a O 26.3146 -22.8900
25 C1y C 31.1644 -21.4900
26 O2x O 31.1644 -22.8899
27 C1y C 32.3768 -23.5899
28 C1y C 33.5892 -22.8899
29 C1y C 33.5892 -21.4900
30 C1y C 32.3768 -20.7900
31 N1b N 32.3768 -19.3900
32 O2a O 34.8017 -23.5899
33 O1a O 34.8017 -20.7900
34 C1b C 32.3768 -24.9899
35 O1a O 31.1644 -25.6899
36 R R 36.6217 -23.5899
37 C5a C 33.3667 -18.4000
38 C1a C 33.0044 -17.0477
39 O5a O 34.7190 -18.7624
40 C5a C 28.5170 -15.6001
41 C1a C 28.1547 -14.2478
42 O5a O 29.8693 -15.9624
BOND 43
1 1 2 1
2 2 3 2
3 2 4 1
4 5 4 1 #Up
5 5 6 1
6 6 7 2
7 6 8 1
8 8 9 1
9 5 10 1
10 10 11 1
11 11 12 2
12 11 13 1
13 14 13 1 #Up
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 14 19 1
20 19 20 1 #Down
21 17 21 1 #Down
22 18 22 1 #Up
23 16 23 1 #Up
24 23 24 1
25 25 21 1 #Up
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 25 30 1
32 30 31 1 #Down
33 28 32 1 #Down
34 29 33 1 #Up
35 27 34 1 #Up
36 34 35 1
37 32 36 1
38 31 37 1
39 37 38 1
40 37 39 2
41 20 40 1
42 40 41 1
43 40 42 2
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