ATOM 49
1 C5a C 28.3281 -21.4626
2 C1c C 28.3292 -22.8313
3 O5a O 29.5091 -20.7773
4 N1b N 27.2280 -23.6383
5 C5a C 26.0384 -22.9486
6 C1c C 24.8530 -23.6331
7 C1b C 23.6748 -22.9486
8 C8y C 22.4895 -23.6331
9 O5a O 26.0396 -21.5799
10 N1c N 24.8530 -25.0018
11 C1a C 23.6714 -25.8263
12 C1a C 25.9718 -25.9663
13 C8x C 21.3094 -22.9517
14 C8x C 20.1240 -23.6360
15 C8x C 20.1257 -25.0018
16 C8x C 21.3127 -25.6834
17 C8x C 22.4910 -24.9990
18 C1c C 29.5027 -23.5132
19 C1b C 30.6880 -22.8288
20 C1a C 31.8664 -23.5132
21 C1a C 29.5027 -24.8819
22 C5x C 28.9000 -18.4272
23 N1x N 30.0784 -19.1046
24 C1y C 31.2637 -18.4201
25 C1b C 32.4491 -19.0974
26 C8y C 33.6273 -18.4130
27 C8x C 27.2080 -14.1197
28 C8y C 27.2080 -15.4884
29 C8x C 28.3925 -16.1729
30 C8x C 29.5770 -15.4884
31 C8y C 29.5770 -14.1197
32 C8x C 28.3925 -13.4352
33 C2x C 30.7662 -13.4362
34 O2x O 26.0196 -16.1735
35 C2x C 32.4625 -14.4179
36 N1x N 32.4598 -16.3833
37 C5x C 31.2607 -17.0514
38 O5x O 28.8969 -17.0583
39 O5x O 30.0760 -16.3598
40 C8x C 34.8078 -19.0981
41 C8x C 35.9931 -18.4137
42 C8x C 35.9916 -17.0478
43 C8x C 34.8046 -16.3662
44 C8x C 33.6192 -17.0507
45 C1y C 27.7047 -19.1085
46 C1y C 26.5320 -18.4193
47 C1x C 25.5129 -19.3228
48 C1x C 26.0572 -20.5766
49 N1y N 27.4139 -20.4398
BOND 53
1 6 7 1
2 25 26 1
3 2 4 1 #Down
4 7 8 1
5 8 13 2
6 13 14 1
7 14 15 2
8 27 28 1
9 28 29 2
10 29 30 1
11 30 31 2
12 31 32 1
13 32 27 2
14 15 16 1
15 31 33 1
16 16 17 2
17 28 34 1
18 17 8 1
19 33 35 2
20 5 9 2
21 35 36 1
22 2 18 1
23 24 37 1
24 37 36 1
25 4 5 1
26 22 38 2
27 18 19 1
28 37 39 2
29 6 10 1 #Up
30 19 20 1
31 1 3 2
32 18 21 1 #Down
33 10 11 1
34 26 40 2
35 40 41 1
36 41 42 2
37 42 43 1
38 43 44 2
39 44 26 1
40 45 22 1
41 5 6 1
42 22 23 1
43 10 12 1
44 23 24 1
45 45 46 1
46 46 47 1
47 47 48 1
48 48 49 1
49 49 45 1
50 34 46 1
51 49 1 1
52 1 2 1
53 24 25 1 #Down
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