ALIGN 12
1 1:C8y 1:C8y
2 2:C8y 2:C8y #M1
3 3:C1b 4:C1b
4 4:C8x 3:C8x
5 5:C8x 5:C8y #R1
6 6:O1a 6:O1a
7 7:C1b 8:C1b
8 8:C8x 7:C8x
9 9:C8x 9:C8x #M1
10 10:C6a 11:C6a
11 11:O6a 12:O6a
12 12:O6a 13:O6a
- * 10:O1a #D1
ENTRY1
COMPOUND
C01198
ATOM 12
1 C8y C -0.3103 0.1103
2 C8y C -0.6828 0.7655
3 C1b C 0.4414 0.1103
4 C8x C -0.6862 -0.5483
5 C8x C -1.4448 0.7586
6 O1a O -0.3103 1.4138
7 C1b C 0.8138 -0.5414
8 C8x C -1.4379 -0.5517
9 C8x C -1.8207 0.1000
10 C6a C 1.5655 -0.5414
11 O6a O 1.9379 -1.1931
12 O6a O 1.9379 0.1103
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 2
9 7 10 1
10 10 11 1
11 10 12 2
12 8 9 1
ENTRY2
COMPOUND
C04044
ATOM 13
1 C8y C 17.8468 -14.7491
2 C8y C 16.6431 -15.4442
3 C8x C 17.8468 -13.3460
4 C1b C 19.0633 -15.4508
5 C8y C 15.4266 -14.7491
6 O1a O 16.6431 -16.9810
7 C8x C 16.6367 -12.6380
8 C1b C 20.2734 -14.7491
9 C8x C 15.4266 -13.3523
10 O1a O 14.2165 -15.4571
11 C6a C 21.4835 -15.4508
12 O6a O 21.4835 -16.9874
13 O6a O 22.7000 -14.7491
BOND 13
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 2
9 5 10 1
10 8 11 1
11 11 12 1
12 11 13 2
13 7 9 1
