ATOM 40
1 C2y C 18.8402 -25.3690
2 C2b C 23.6936 -16.9800
3 C2b C 23.6936 -18.3822
4 O1a O 26.1228 -16.9800
5 C1z C 24.9118 -16.2825
6 C1x C 37.0281 -12.0494
7 C1y C 37.0281 -13.4516
8 C1x C 38.2461 -14.1491
9 C1x C 39.4501 -13.4516
10 C1x C 39.4501 -12.0494
11 C1x C 38.2461 -11.3449
12 C2b C 35.8161 -14.1491
13 C2b C 34.6042 -13.4587
14 C2b C 33.3924 -14.1562
15 C2b C 32.1805 -13.4656
16 C2b C 30.9685 -14.1632
17 C2b C 29.7567 -13.4727
18 C5a C 28.5519 -14.1703
19 N1b N 27.3359 -13.4742
20 O5a O 28.5536 -15.5724
21 C2y C 26.1214 -14.1731
22 C5x C 24.9085 -13.4783
23 C2x C 26.1260 -15.5765
24 C1y C 23.6957 -15.5794
25 C1y C 23.7564 -14.1814
26 O2x O 22.4785 -14.8998
27 C2b C 22.4783 -19.0813
28 C2b C 22.4783 -20.4762
29 C2b C 21.2665 -21.1737
30 C2b C 21.2665 -22.5690
31 C5a C 20.0546 -23.2736
32 N1b N 20.0546 -24.6685
33 O5a O 18.8460 -22.5697
34 O5x O 24.9071 -12.0761
35 C2y C 17.7094 -24.5270
36 C1x C 16.5631 -25.3306
37 C1x C 16.9825 -26.6712
38 C5x C 18.3842 -26.6912
39 O1a O 17.7229 -23.1236
40 O5x O 19.1847 -27.8396
BOND 43
1 5 23 1
2 23 21 2
3 5 2 1 #Up
4 12 13 2
5 24 25 1
6 24 26 1 #Down
7 25 26 1 #Down
8 13 14 1
9 3 27 1
10 2 3 2
11 27 28 2
12 14 15 2
13 28 29 1
14 6 7 1
15 29 30 2
16 15 16 1
17 30 31 1
18 7 8 1
19 31 32 1
20 16 17 2
21 31 33 2
22 8 9 1
23 17 18 1
24 9 10 1
25 18 19 1
26 10 11 1
27 18 20 2
28 11 6 1
29 19 21 1
30 22 34 2
31 32 1 1
32 5 4 1 #Down
33 7 12 1
34 21 22 1
35 1 35 2
36 35 36 1
37 36 37 1
38 37 38 1
39 38 1 1
40 22 25 1
41 35 39 1
42 24 5 1
43 38 40 2
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