ATOM 44
1 C8y C 30.9816 -22.3827
2 C8x C 29.8670 -23.1264
3 N4x N 30.2240 -24.4831
4 C8y C 31.5624 -24.4711
5 C8y C 32.0292 -23.2149
6 C8x C 33.3456 -22.9917
7 C8x C 34.1987 -24.0189
8 C8x C 33.7317 -25.2753
9 C8x C 32.4155 -25.4985
10 C1y C 29.8228 -20.3771
11 N1x N 27.5096 -20.3651
12 C1y C 26.3492 -21.0310
13 C1b C 26.3450 -22.3683
14 C5x C 25.1998 -20.3529
15 O5x O 25.1954 -19.2451
16 C5x C 28.6660 -21.0366
17 O5x O 28.7325 -22.3739
18 C6a C 25.1836 -23.0312
19 N1x N 29.8148 -19.0333
20 C5x C 30.9689 -18.3577
21 O5x O 32.1310 -19.0193
22 C1y C 30.9474 -17.0204
23 C1b C 30.9811 -21.0454
24 N1x N 25.1612 -16.3653
25 C1y C 26.3161 -15.6899
26 C5x C 27.4711 -16.3585
27 O5x O 27.4374 -17.6958
28 N1x N 28.6260 -15.6831
29 C1c C 26.3132 -14.3526
30 C1a C 27.4699 -13.6815
31 C5x C 23.8171 -16.3921
32 O5x O 23.1408 -15.2440
33 C1a C 25.1536 -13.6865
34 C1b C 32.0997 -16.3418
35 C1c C 33.2636 -17.0006
36 C1a C 34.4159 -16.3222
37 C1a C 33.2749 -18.3379
38 O6a O 24.0288 -22.3567
39 O6a O 25.1769 -24.3684
40 N1y N 23.8062 -20.3777
41 C1y C 23.0653 -19.2194
42 C1x C 21.7345 -19.5661
43 C1x C 21.6533 -20.9387
44 C1x C 22.9335 -21.4404
BOND 47
1 2 3 1
2 20 22 1
3 5 1 1
4 10 23 1 #Down
5 4 3 1
6 4 5 2
7 11 12 1
8 12 13 1 #Down
9 25 26 1
10 26 27 2
11 26 28 1
12 24 25 1
13 12 14 1
14 25 29 1 #Down
15 14 15 2
16 29 30 1
17 14 40 1
18 24 31 1
19 5 6 1
20 31 32 2
21 28 22 1
22 41 31 1
23 11 16 1
24 29 33 1
25 6 7 2
26 22 34 1 #Up
27 16 17 2
28 34 35 1
29 16 10 1
30 35 36 1
31 7 8 1
32 35 37 1
33 13 18 1
34 18 38 1
35 8 9 2
36 18 39 2
37 10 19 1
38 9 4 1
39 19 20 1
40 1 2 2
41 20 21 2
42 40 41 1
43 41 42 1 #Up
44 42 43 1
45 43 44 1
46 44 40 1
47 23 1 1
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