ALIGN 10
1 1:C1c 1:C1c #M1
2 2:C1b 2:C1b
3 3:C6a 4:C6a
4 4:N1a 3:N1b #R1
5 5:C1b 5:C1b
6 6:O6a 7:O6a
7 7:O6a 8:O6a
8 8:C6a 9:C6a
9 9:O6a 12:O6a
10 10:O6a 13:O6a
- * 6:C5a #D1
ENTRY1
COMPOUND
C00217
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 #Up
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
C06379
ATOM 13
1 C1c C -0.2759 0.0966
2 C1b C 0.4448 0.5103
3 N1b N -0.2759 -0.7310
4 C6a C -0.9931 0.5103
5 C1b C 1.1586 0.0966
6 C5a C -0.9931 -1.1483
7 O6a O -1.7069 0.0966
8 O6a O -0.9931 1.3414
9 C6a C 1.8724 0.5069
10 O5a O -1.7069 -0.7310
11 R R -0.9931 -1.9759
12 O6a O 2.5862 0.0931
13 O6a O 1.8759 1.3310
BOND 12
1 1 2 1
2 1 3 1 #Up
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 6 10 2
10 6 11 1
11 9 12 1
12 9 13 2