ATOM 46
1 C8y C 29.5321 -21.9898
2 N1b N 23.4660 -19.8909
3 C5a C 22.2464 -19.1931
4 O5a O 21.0271 -19.8838
5 N1y N 22.2395 -17.7904
6 C1x C 20.9792 -17.1793
7 C1x C 20.6579 -15.8106
8 C1x C 23.5039 -17.1624
9 C1x C 21.5148 -14.7116
10 C1x C 23.8048 -15.7901
11 C1x C 22.9157 -14.7064
12 C1c C 24.6806 -19.1914
13 C5a C 25.8973 -19.8877
14 N1b N 27.1121 -19.1882
15 O5a O 25.8993 -21.2903
16 C1c C 28.3217 -19.8843
17 C5a C 29.5365 -19.1850
18 N1b N 30.7532 -19.8811
19 C1b C 24.6788 -17.7888
20 C1c C 25.8936 -17.0822
21 C1a C 25.8917 -15.6796
22 C1a C 27.1103 -17.7854
23 O5a O 29.5346 -17.7822
24 C1b C 28.3237 -21.2871
25 C1c C 31.9680 -19.1818
26 C6a C 33.1846 -19.8779
27 O6a O 34.3994 -19.1784
28 C1b C 31.9661 -17.7790
29 C8y C 33.1809 -17.0726
30 N4x N 31.7337 -22.4591
31 C8x C 30.7946 -21.4211
32 C8y C 31.0321 -23.6704
33 C8y C 29.6739 -23.3763
34 C8x C 28.7438 -24.4068
35 C8x C 29.1648 -25.7237
36 C8x C 30.5231 -26.0247
37 C8x C 31.4601 -24.9945
38 O6a O 33.1865 -21.2807
39 C8x C 34.4632 -17.6499
40 N4x N 35.3969 -16.6035
41 C8y C 33.3222 -15.6850
42 C8y C 34.6946 -15.3961
43 C8x C 35.1270 -14.0620
44 C8x C 34.1941 -13.0169
45 C8x C 32.8216 -13.3129
46 C8x C 32.3821 -14.6470
BOND 50
1 2 12 1
2 16 24 1 #Up
3 24 1 1
4 2 3 1
5 18 25 1
6 12 13 1
7 25 26 1
8 3 4 2
9 26 27 1
10 13 14 1
11 25 28 1 #Down
12 3 5 1
13 28 29 1
14 13 15 2
15 5 6 1
16 1 33 1
17 32 30 1
18 30 31 1
19 31 1 2
20 14 16 1
21 6 7 1
22 16 17 1
23 5 8 1
24 17 18 1
25 7 9 1
26 32 33 2
27 33 34 1
28 34 35 2
29 35 36 1
30 36 37 2
31 37 32 1
32 12 19 1 #Up
33 26 38 2
34 39 40 1
35 8 10 1
36 19 20 1
37 29 39 2
38 40 42 1
39 41 29 1
40 9 11 1
41 20 21 1
42 10 11 1
43 20 22 1
44 17 23 2
45 41 42 2
46 42 43 1
47 43 44 2
48 44 45 1
49 45 46 2
50 46 41 1
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