ALIGN 13
1 1:C8y 1:C8y
2 2:C8x 10:C8x
3 3:C8x 6:C8x
4 4:C1c 2:C1c
5 5:C8x 9:C8x
6 6:C8y 7:C8y #M1
7 7:C1b 3:C1b
8 8:O1a 12:O1a
9 9:C8y 8:C8y
10 10:N1b 4:N1b
11 11:O1a 11:O1a
12 12:O1a 13:O2a #R1
13 13:C1a 5:C1a
- * 14:C1a #D1
ENTRY1
COMPOUND
C00788
ATOM 13
1 C8y C 21.2028 -17.0133
2 C8x C 21.2028 -18.4284
3 C8x C 19.9857 -16.3144
4 C1c C 22.4083 -16.3144
5 C8x C 19.9857 -19.1389
6 C8y C 18.7742 -17.0133
7 C1b C 23.6196 -17.0075
8 O1a O 22.4083 -14.9168
9 C8y C 18.7742 -18.4284
10 N1b N 24.8191 -16.3087
11 O1a O 17.5630 -19.1156
12 O1a O 17.5677 -16.3165
13 C1a C 26.0284 -17.0006
BOND 13
1 1 3 1
2 1 4 1
3 2 5 1
4 3 6 2
5 4 7 1
6 4 8 1 #Up
7 5 9 2
8 7 10 1
9 9 11 1
10 6 9 1
11 6 12 1
12 1 2 2
13 10 13 1
ENTRY2
COMPOUND
C05588
ATOM 14
1 C8y C 15.1900 -5.8800
2 C1c C 16.4024 -5.1800
3 C1b C 17.6149 -5.8800
4 N1b N 18.8273 -5.1800
5 C1a C 20.0397 -5.8800
6 C8x C 13.9776 -5.1800
7 C8y C 12.7651 -5.8800
8 C8y C 12.7651 -7.2800
9 C8x C 13.9776 -7.9800
10 C8x C 15.1900 -7.2800
11 O1a O 11.5340 -7.9910
12 O1a O 16.4024 -3.7802
13 O2a O 11.5340 -5.1690
14 C1a C 10.3288 -5.8647
BOND 14
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 6 2
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 1 10 1
11 8 11 1
12 2 12 1
13 7 13 1
14 13 14 1
