ATOM 25
1 C1x C 25.4557 -20.6379
2 C2y C 25.4625 -17.4853
3 C1y C 24.0884 -20.3308
4 N2x N 24.0918 -17.7978
5 N1y N 23.4852 -19.0654
6 C5a C 22.0864 -19.0644
7 C1a C 21.3879 -17.8528
8 O5a O 21.3862 -20.2753
9 C8y C 25.7748 -16.1218
10 C8y C 26.5600 -18.3617
11 C8y C 26.5561 -19.7611
12 C8x C 27.7660 -20.4643
13 C8x C 27.7740 -17.6655
14 C8y C 29.0538 -18.3687
15 C8y C 29.0263 -19.7698
16 O2x O 30.3109 -20.2068
17 C1x C 31.1377 -19.0756
18 O2x O 30.3176 -17.9398
19 C1a C 23.2160 -21.4242
20 C8x C 27.1071 -15.7189
21 C8x C 27.4195 -14.3554
22 C8y C 26.3947 -13.4032
23 C8x C 25.0579 -13.8145
24 C8x C 24.7456 -15.1781
25 N1a N 26.7070 -12.0399
BOND 28
1 11 12 1
2 12 15 2
3 14 13 2
4 13 10 1
5 5 6 1
6 1 3 1
7 6 7 1
8 6 8 2
9 14 15 1
10 15 16 1
11 16 17 1
12 17 18 1
13 18 14 1
14 2 4 2
15 3 19 1 #Up
16 2 9 1
17 10 2 1
18 3 5 1
19 4 5 1
20 11 1 1
21 9 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 9 1
27 10 11 2
28 22 25 1
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