ALIGN 9
1 1:C1c 13:C1c
2 2:C1b 12:C1b
3 3:C6a 14:C6a
4 4:N1a 15:N1a
5 5:C1b 9:C1b #M1
6 6:O6a 16:O6a
7 7:O6a 17:O6a
8 8:C6a 5:C5a #R1
9 10:O6a 10:O5a #M1
- 9:O6a * #D1
- * 2:N1b #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
C05711
ATOM 17
1 C1c C -0.3414 -2.0690
2 N1b N -1.1793 -1.0690
3 C1b C 0.9172 -1.7276
4 C6a C -0.3448 -3.3690
5 C5a C -0.2655 -0.1414
6 C3b C 2.1759 -2.0586
7 O6a O -1.4724 -4.0138
8 O6a O 0.7793 -4.0207
9 C1b C -1.2655 0.8586
10 O5a O 1.1517 -0.1414
11 N3a N 3.4759 -2.0586
12 C1b C -0.2621 1.8586
13 C1c C -1.2621 2.8586
14 C6a C -0.1724 3.7724
15 N1a N -2.6793 2.8586
16 O6a O 1.1621 3.2897
17 O6a O -0.4241 5.1724
BOND 16
1 1 2 1
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 3
11 9 12 1
12 12 13 1
13 13 14 1
14 13 15 1
15 14 16 1
16 14 17 2
