ATOM 44
1 C1y C 29.6817 -17.0783
2 N1y N 29.6817 -18.4719
3 C2y C 30.8886 -19.1685
4 C2y C 32.0955 -18.4719
5 C1x C 32.0955 -17.0783
6 S2x S 30.8886 -16.3814
7 C1y C 28.2879 -17.0783
8 C5x C 28.2879 -18.4719
9 N1b N 27.0812 -16.3814
10 C5a C 25.8741 -17.0783
11 O5a O 25.8741 -18.4719
12 O5x O 27.0812 -19.1685
13 C1c C 24.6673 -16.3814
14 C1b C 33.3209 -19.1797
15 C6a C 30.8886 -20.5619
16 O6a O 29.6649 -21.2685
17 O6a O 32.0786 -21.2491
18 N1b N 23.4408 -17.0898
19 C5a C 22.2354 -16.3938
20 N1y N 21.0300 -17.0898
21 S2a S 34.5327 -18.4802
22 C8y C 35.7393 -19.1771
23 N5x N 36.1247 -20.5129
24 N5x N 37.5184 -20.4935
25 N5x N 37.9972 -19.2538
26 N4y N 36.8994 -18.3937
27 O5a O 22.2355 -15.0005
28 C5x C 19.8332 -16.3988
29 C5x C 18.6259 -17.0957
30 N1y N 18.6258 -18.4898
31 C1x C 19.8227 -19.1808
32 C1x C 21.0299 -18.4840
33 O5x O 19.8332 -15.0007
34 O5x O 17.4000 -16.3877
35 C1b C 17.4037 -19.1955
36 C1a C 16.2018 -18.5019
37 C1a C 36.8784 -16.9810
38 C8y C 24.6675 -14.9334
39 C8x C 25.8873 -14.2292
40 C8x C 25.8873 -12.8087
41 C8y C 24.6573 -12.0984
42 C8x C 23.4375 -12.8027
43 C8x C 23.4374 -14.2230
44 O1a O 24.6574 -10.6720
BOND 48
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 1
22 14 21 1
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 22 26 1
29 19 27 2
30 20 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 20 32 1
36 28 33 2
37 29 34 2
38 30 35 1
39 35 36 1
40 26 37 1
41 38 39 2
42 39 40 1
43 40 41 2
44 41 42 1
45 42 43 2
46 38 43 1
47 41 44 1
48 13 38 1 #Down
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