ALIGN 13
1 1:C8y 2:C8y
2 2:C8y 1:C8y
3 3:C8x 5:C8x
4 4:C8x 6:C8x
5 5:C8y 3:C8y #M1
6 6:C8x 4:C8x
7 7:C8x 10:C8x
8 8:C8x 11:C8x
9 9:C8x 7:C8y #R1
10 10:O1a 8:O1a
11 11:C8x 9:C8x
12 12:C8x 14:C8x
13 13:C8x 12:C8x #M1
- * 13:O1a #D1
ENTRY1
COMPOUND
C02499
ATOM 13
1 C8y C 17.8125 -14.4184
2 C8y C 19.0246 -15.1109
3 C8x C 16.5877 -15.1303
4 C8x C 17.8125 -13.0076
5 C8y C 20.2237 -14.4184
6 C8x C 19.0246 -16.5088
7 C8x C 15.3820 -14.4184
8 C8x C 16.5877 -12.3086
9 C8x C 21.4357 -15.1046
10 O1a O 20.2174 -13.0268
11 C8x C 20.2300 -17.2144
12 C8x C 15.3820 -13.0076
13 C8x C 21.4357 -16.5025
BOND 14
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 1
10 6 11 2
11 7 12 1
12 9 13 2
13 8 12 2
14 11 13 1
ENTRY2
COMPOUND
C02526
ATOM 14
1 C8y C 0.2793 -0.0483
2 C8y C -0.3690 -0.4241
3 C8y C 0.2793 0.6966
4 C8x C 0.9310 -0.4207
5 C8x C -0.3690 -1.1828
6 C8x C -1.0276 -0.0483
7 C8y C 0.9241 1.0759
8 O1a O -0.3724 1.0690
9 C8x C 1.5655 -0.0690
10 C8x C -1.0276 -1.5655
11 C8x C -1.6759 -0.4241
12 C8x C 1.5759 0.7034
13 O1a O 0.9690 1.8241
14 C8x C -1.6759 -1.1828
BOND 15
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 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 2
12 7 13 1
13 10 14 2
14 9 12 1
15 11 14 1
