ALIGN 12
1 1:C8y 1:C8y
2 2:C8x 2:C8x
3 3:C8x 3:C8x
4 4:C8y 4:C8y
5 5:C8y 5:C8y #M1
6 6:C8x 6:C8x
7 7:O2a 7:O1a #R1
8 9:O1a 8:O1a
9 10:C2b 9:C2b
10 11:C2b 10:C2b
11 12:C1b 11:C1b
12 13:O1a 12:O1a
- 8:C1a * #D1
ENTRY1
COMPOUND
C00590
ATOM 13
1 C8y C 34.6105 -18.6546
2 C8x C 34.6105 -20.0569
3 C8x C 35.8249 -20.7580
4 C8y C 37.0393 -20.0569
5 C8y C 37.0393 -18.6546
6 C8x C 35.8249 -17.9535
7 O2a O 38.2724 -17.9424
8 C1a C 38.2724 -16.5402
9 O1a O 38.2724 -20.7690
10 C2b C 33.3961 -17.9535
11 C2b C 32.1987 -18.6450
12 C1b C 31.0094 -17.9584
13 O1a O 31.0094 -16.5584
BOND 13
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 4 9 1
10 1 10 1
11 10 11 2
12 11 12 1
13 12 13 1
ENTRY2
COMPOUND
C12206
ATOM 12
1 C8y C 34.0294 -18.6257
2 C8x C 34.0294 -20.0261
3 C8x C 35.2422 -20.7263
4 C8y C 36.4550 -20.0261
5 C8y C 36.4550 -18.6257
6 C8x C 35.2422 -17.9255
7 O1a O 37.6865 -17.9145
8 O1a O 37.6865 -20.7373
9 C2b C 32.8166 -17.9255
10 C2b C 31.6208 -18.6161
11 C1b C 30.4330 -17.9304
12 O1a O 30.4330 -16.5300
BOND 12
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 4 8 1
9 1 9 1
10 9 10 2
11 10 11 1
12 11 12 1
