ATOM 36
1 C1y C 16.5762 -13.8205
2 N1y N 17.4613 -12.7478
3 C1x C 17.0624 -15.1232
4 C1y C 18.4339 -15.3535
5 C2y C 19.3190 -14.2809
6 C5x C 18.8328 -12.9782
7 C1y C 18.9201 -16.6563
8 C1y C 20.2916 -16.8867
9 O2x O 21.1768 -15.8143
10 C2x C 20.6905 -14.5114
11 O2a O 21.1106 -18.4365
12 C2b C 18.0475 -17.7140
13 C2a C 18.3950 -19.0604
14 O5x O 19.6935 -11.9350
15 C1x C 16.7775 -11.5377
16 C8y C 15.4152 -11.7439
17 C8y C 15.3970 -13.1951
18 C8x C 14.2179 -11.1078
19 C8y C 13.0077 -11.7916
20 C8y C 12.9946 -13.1816
21 N5x N 14.1920 -13.8878
22 C8x C 11.8105 -11.0855
23 C8x C 10.6002 -11.7692
24 C8x C 10.5872 -13.1592
25 C8x C 11.7846 -13.8653
26 C1y C 22.6859 -18.7761
27 O2x O 23.3401 -20.0148
28 C1y C 24.7249 -19.9898
29 C1y C 25.4469 -18.9881
30 C1y C 24.8626 -17.7493
31 C1y C 23.4778 -17.7743
32 C1b C 25.2480 -21.3865
33 O1a O 25.6544 -16.6074
34 O1a O 26.8317 -19.1028
35 O1a O 22.8848 -16.3778
36 O1a O 26.6327 -21.4312
BOND 41
1 1 2 1
2 1 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 2 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 2
12 8 11 1 #Up
13 7 12 1
14 12 13 2
15 6 14 2
16 2 15 1
17 15 16 1
18 16 17 1
19 17 1 1
20 16 18 2
21 18 19 1
22 19 20 2
23 20 21 1
24 21 17 2
25 19 22 1
26 22 23 2
27 23 24 1
28 24 25 2
29 25 20 1
30 26 11 1 #Up
31 26 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 30 31 1
36 26 31 1
37 28 32 1 #Up
38 30 33 1 #Up
39 29 34 1 #Down
40 31 35 1 #Down
41 32 36 1
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