ATOM 42
1 C1y C 27.0740 -18.2857
2 C5x C 28.2392 -17.6078
3 N1x N 29.4044 -18.2786
4 C1y C 30.5767 -17.6006
5 C1c C 31.7420 -18.2716
6 C1b C 32.9072 -17.5937
7 C1a C 34.0724 -18.2645
8 C8x C 26.5738 -13.3601
9 C8y C 26.5738 -14.7160
10 C8x C 27.7453 -15.3868
11 C8x C 28.9097 -14.7160
12 C8y C 28.9097 -13.3601
13 C8x C 27.7453 -12.6891
14 C2x C 30.0788 -12.6901
15 O2x O 25.4057 -15.3875
16 C1y C 25.4064 -17.3223
17 C2x C 31.7553 -13.6584
18 N1x N 31.7526 -15.5905
19 C5x C 30.5737 -16.2519
20 O5x O 28.2361 -16.2590
21 O5x O 29.4022 -15.5668
22 C1a C 31.7450 -19.6204
23 N1b N 27.0750 -19.6346
24 C8y C 24.2268 -17.9974
25 C5a C 28.2441 -20.3116
26 C1c C 28.1753 -21.6603
27 O5a O 29.4122 -19.6326
28 N1c N 27.0772 -22.3322
29 C1b C 29.4144 -22.3303
30 C8y C 29.4154 -23.6862
31 C1a C 25.9081 -21.6622
32 C1a C 27.0784 -23.6881
33 C8x C 23.0599 -17.3235
34 C8x C 21.8872 -17.9986
35 C8x C 21.8889 -19.3528
36 C8x C 23.0631 -20.0321
37 C8x C 24.2356 -19.3501
38 C8x C 28.2475 -24.3545
39 C8x C 28.2487 -25.7104
40 C8x C 29.4178 -26.3803
41 C8x C 30.5928 -25.7085
42 C8x C 30.5917 -24.3526
BOND 45
1 9 10 2
2 5 22 1 #Down
3 10 11 1
4 1 23 1 #Up
5 11 12 2
6 16 24 1
7 12 13 1
8 13 8 2
9 23 25 1
10 6 7 1
11 25 26 1
12 12 14 1
13 25 27 2
14 3 4 1
15 26 28 1 #Down
16 9 15 1
17 26 29 1
18 29 30 1
19 15 16 1
20 28 31 1
21 4 5 1
22 28 32 1
23 14 17 2
24 16 1 1
25 2 3 1
26 17 18 1
27 5 6 1
28 24 33 2
29 33 34 1
30 34 35 2
31 35 36 1
32 36 37 2
33 37 24 1
34 4 19 1
35 19 18 1
36 1 2 1
37 2 20 2
38 8 9 1
39 19 21 2
40 30 38 2
41 38 39 1
42 39 40 2
43 40 41 1
44 41 42 2
45 42 30 1
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