ALIGN 10
1 1:C8y 1:C8y
2 2:N2b 4:N2b
3 3:C8x 2:C8x #M1
4 4:C8x 3:C8x
5 5:O3a 8:O3a
6 6:O3a 7:O3a
7 7:C8x 5:C8y #R1
8 8:C8x 6:C8x
9 9:C8y 9:C8y #M1
10 10:O1a 11:O1a
- * 10:O1a #D1
ENTRY1
COMPOUND
C00870
ATOM 10
1 C8y C 0.0000 -0.3828
2 N2b N -0.0034 -1.1310 #+
3 C8x C -0.6483 0.0000
4 C8x C 0.6586 0.0000
5 O3a O 0.6414 -1.5138
6 O3a O -0.6517 -1.5103 #-
7 C8x C -0.6483 0.7586
8 C8x C 0.6586 0.7586
9 C8y C 0.0000 1.1345
10 O1a O -0.0034 1.8828
BOND 10
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 2
8 7 9 2
9 9 10 1
10 8 9 1
ENTRY2
COMPOUND
C02235
ATOM 11
1 C8y C -0.1207 -0.4552
2 C8x C 0.5345 -0.0724
3 C8x C -0.7724 -0.0724
4 N2b N -0.1241 -1.2069 #+
5 C8y C 0.5345 0.6862
6 C8x C -0.7724 0.6862
7 O3a O 0.6552 -1.7621
8 O3a O -0.8724 -1.7310 #-
9 C8y C -0.1207 1.0586
10 O1a O 1.1828 1.0621
11 O1a O -0.1241 1.8103
BOND 11
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 2
7 4 8 1
8 5 9 1
9 5 10 1
10 9 11 1
11 6 9 2