ATOM 47
1 C1z C 18.0108 -14.1684
2 N1y N 18.0108 -15.4544
3 C1y C 19.1132 -13.4794
4 O2x O 16.8626 -13.4794
5 O1a O 17.9648 -12.4232
6 C1y C 19.1132 -16.0975
7 C5x C 15.7142 -15.4544
8 N1y N 20.2614 -14.1684
9 C1x C 19.1132 -12.1934
10 C1z C 15.7142 -14.1684
11 C5x C 20.2614 -15.4086
12 O5x O 14.8416 -16.3272
13 C1x C 21.3177 -13.5254
14 C1x C 21.3177 -12.1934
15 N1b N 14.1067 -13.4335
16 C1c C 15.7142 -11.9180
17 O5x O 21.3177 -16.0975
18 C5a C 12.6369 -14.1224
19 C1y C 12.6369 -15.4544
20 O5a O 11.4887 -13.4794
21 C1x C 11.4887 -16.0975
22 C1x C 13.7393 -16.0975
23 C1y C 11.4887 -17.3835
24 N1y N 13.7393 -17.3835
25 C8y C 10.3863 -17.9807
26 C1y C 12.6369 -18.0266
27 C1a C 14.8875 -18.0266
28 C8y C 10.3863 -19.3127
29 C8x C 9.2839 -17.3835
30 C1x C 12.6369 -19.3127
31 C8y C 11.4887 -19.9556
32 C8y C 9.2839 -19.9556
33 C8x C 8.1817 -17.9807
34 C8x C 11.4887 -21.2418
35 N4x N 9.2839 -21.2418
36 C8x C 8.1817 -19.3127
37 C1a C 16.9084 -11.2291
38 C1a C 14.5660 -11.2291
39 C1c C 19.1132 -17.4295
40 C1a C 20.2155 -18.0266
41 C1b C 17.9190 -18.0725
42 C1a C 17.9240 -19.4501
43 S4a S 27.7491 -16.1893
44 C1a C 26.3711 -16.1893
45 O1d O 29.1272 -16.1893
46 O1d O 27.7491 -14.8113
47 O1d O 27.7491 -17.5674
BOND 52
1 4 10 1
2 6 11 1
3 7 12 2
4 8 13 1
5 9 14 1
6 10 15 1
7 10 16 1 #Up
8 11 17 2
9 15 18 1
10 19 18 1 #Up
11 18 20 2
12 19 21 1
13 19 22 1
14 21 23 1
15 22 24 1
16 23 25 1
17 23 26 1
18 24 27 1
19 25 28 1
20 25 29 2
21 26 30 1
22 28 31 1
23 28 32 2
24 29 33 1
25 31 34 2
26 32 35 1
27 32 36 1
28 7 10 1
29 8 11 1
30 13 14 1
31 24 26 1
32 30 31 1
33 33 36 2
34 34 35 1
35 16 37 1
36 16 38 1
37 1 2 1
38 1 3 1
39 1 4 1
40 1 5 1 #Down
41 2 6 1
42 2 7 1
43 3 8 1
44 3 9 1
45 39 40 1 #Up
46 39 41 1
47 41 42 1
48 6 39 1
49 43 44 1
50 43 45 1
51 43 46 2
52 43 47 2
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