ALIGN 12
1 1:C8y 1:C8y
2 2:C8x 4:C8x
3 3:C8x 2:C8x
4 4:C1c 3:C1c
5 5:C8x 8:C8x
6 6:C8y 5:C8y #M1
7 7:C1b 6:C1b
8 8:O1a 7:O1a
9 9:C8y 9:C8y
10 10:N1a 11:N1a
11 11:O1a 12:O1a
12 12:O1a 10:O2a #R1
- * 13:C1a #D1
ENTRY1
COMPOUND
C00547
ATOM 12
1 C8y C 25.1107 -17.0137
2 C8x C 25.1107 -18.4285
3 C8x C 23.8950 -16.3188
4 C1c C 26.3149 -16.3188
5 C8x C 23.8950 -19.1423
6 C8y C 22.6850 -17.0137
7 C1b C 27.5246 -17.0080
8 O1a O 26.3149 -14.9217
9 C8y C 22.6850 -18.4285
10 N1a N 28.7227 -16.3130
11 O1a O 21.4681 -19.1189
12 O1a O 21.4728 -16.3208
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 4 8 1 #Up
8 5 9 2
9 7 10 1
10 9 11 1
11 6 9 1
12 6 12 1
ENTRY2
COMPOUND
C05589
ATOM 13
1 C8y C 0.9103 0.1414
2 C8x C 0.2483 -1.1103
3 C1c C 2.1345 0.8552
4 C8x C 0.1586 1.3379
5 C8y C -1.1724 -1.1655
6 C1b C 3.3552 0.1448
7 O1a O 2.1276 2.2724
8 C8x C -1.2586 1.2862
9 C8y C -1.9207 0.0345
10 O2a O -2.3069 -2.1207
11 N1a N 4.5862 0.8586
12 O1a O -3.3414 0.0379
13 C1a C -3.5207 -2.5724
BOND 13
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 3 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1
10 6 11 1
11 9 12 1
12 10 13 1
13 8 9 2
