ALIGN 10
1 1:C1c 1:C1c #M1
2 2:C1b 3:C1b
3 3:C6a 4:C6a
4 4:N1a 2:N1b #R1
5 5:C1b 6:C1b
6 6:O6a 7:O6a
7 7:O6a 8:O6a
8 8:C6a 11:C6a
9 9:O6a 13:O6a
10 10:O6a 14:O6a
- * 5:C5a #D1
ENTRY1
COMPOUND
C00025
ATOM 10
1 C1c C 20.3373 -15.3609
2 C1b C 21.5254 -14.6234
3 C6a C 19.1024 -14.6995
4 N1a N 20.3782 -16.7596
5 C1b C 22.7603 -15.2789
6 O6a O 17.9435 -15.4955
7 O6a O 19.1199 -13.3008
8 C6a C 23.9484 -14.5415
9 O6a O 25.1832 -15.2029
10 O6a O 23.9016 -13.1427
BOND 9
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 8 9 1
9 8 10 2
ENTRY2
COMPOUND
C05931
ATOM 17
1 C1c C 0.7966 -0.5966
2 N1b N 0.8000 0.1552
3 C1b C 0.1483 -0.9724
4 C6a C 1.4448 -0.9655
5 C5a C 0.8034 0.9034
6 C1b C -0.5000 -0.6000
7 O6a O 2.0897 -0.5862
8 O6a O 1.4414 -1.7172
9 C1b C 0.1586 1.2793
10 O5a O 1.4483 1.2828
11 C6a C -1.1448 -0.9759
12 C1b C -0.4897 0.9034
13 O6a O -1.7966 -0.6000
14 O6a O -1.1517 -1.7241
15 C6a C -1.1345 1.2793
16 O6a O -1.7793 0.9034
17 O6a O -1.1379 2.0276
BOND 16
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 1
9 5 10 2
10 6 11 1
11 9 12 1
12 11 13 1
13 11 14 2
14 12 15 1
15 15 16 1
16 15 17 2
