ATOM 51
1 C1z C 31.9698 -21.0291
2 C1y C 32.6937 -20.1204
3 C1x C 32.9423 -21.8809
4 C1y C 33.8298 -20.8471
5 C1y C 34.6439 -20.0633
6 C1x C 35.6855 -20.8636
7 C1b C 35.0428 -18.6465
8 C8y C 28.9001 -20.3851
9 N4x N 30.0416 -22.0025
10 C8y C 28.9015 -21.6008
11 C8x C 27.8415 -19.7778
12 C8x C 27.8415 -22.2222
13 C8y C 26.7919 -20.3851
14 C8y C 26.7919 -21.6008
15 C8y C 30.7583 -21.0180
16 C8y C 30.0627 -20.0296
17 C1x C 30.4075 -18.8564
18 C1x C 31.5231 -18.3969
19 N1y N 32.5811 -18.9820
20 C1x C 33.4620 -17.3428
21 C7a C 32.1016 -22.3879
22 O7a O 33.0512 -23.3378
23 C1a C 33.0496 -24.9826
24 O6a O 31.0168 -23.2228
25 C1a C 36.4124 -18.3251
26 O2a O 25.7430 -22.2050
27 C1y C 25.7359 -19.7774
28 C2b C 29.4689 -15.1243
29 C1a C 30.3627 -16.3319
30 C1x C 23.4775 -16.7588
31 C1y C 24.7609 -15.8094
32 C1y C 26.1389 -15.9056
33 C1y C 27.2186 -17.1825
34 C1x C 26.7696 -18.8339
35 C8y C 24.2417 -19.4118
36 C8y C 23.4487 -18.2702
37 N4x N 23.4026 -20.5283
38 C8y C 22.1511 -20.0659
39 C8y C 22.1146 -18.6779
40 C8x C 20.9240 -17.9639
41 C8x C 19.7000 -18.6311
42 C8x C 19.6666 -20.0193
43 C8x C 20.8571 -20.7402
44 N1x N 25.0784 -14.5568
45 C1x C 26.4605 -14.0779
46 C2y C 27.7379 -15.1373
47 C7a C 25.6800 -16.8501
48 O7a O 24.5193 -16.8796
49 C1a C 25.0461 -18.1261
50 O6a O 26.3133 -18.0584
51 C1a C 25.7430 -23.6050
BOND 59
1 7 25 1
2 5 7 1 #Up
3 3 4 1
4 14 26 1
5 5 6 1
6 1 2 1
7 13 27 1
8 1 3 1
9 2 5 1
10 28 29 1
11 16 8 1
12 15 9 1
13 8 10 2
14 8 11 1
15 10 12 1
16 30 31 1
17 31 32 1 #Up
18 33 32 1 #Up
19 33 34 1
20 36 30 1
21 11 13 2
22 12 14 2
23 9 10 1
24 35 36 2
25 36 39 1
26 38 37 1
27 37 35 1
28 13 14 1
29 15 16 2
30 16 17 1
31 15 1 1
32 17 18 1
33 18 19 1
34 38 39 2
35 39 40 1
36 40 41 2
37 41 42 1
38 42 43 2
39 43 38 1
40 2 19 1
41 31 44 1
42 19 20 1 #Up
43 44 45 1
44 1 21 1 #Down
45 45 46 1
46 46 33 1
47 28 46 2
48 21 22 1
49 32 47 1
50 22 23 1
51 47 48 1
52 21 24 2
53 48 49 1
54 34 27 1
55 27 35 1
56 4 20 1 #Up
57 4 6 1
58 47 50 2
59 26 51 1
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