ALIGN 6
1 1:C1c 10:C1c #M1
2 2:C6a 11:C6a
3 3:C1b 9:C1b #R1
4 4:N1a 12:N1a
5 5:O6a 13:O6a
6 6:O6a 14:O6a
- 7:O1a * #D1
- * 8:Z #D1
ENTRY1
COMPOUND
C00065
ATOM 7
1 C1c C 0.0862 -0.1862
2 C6a C -0.5931 0.2552
3 C1b C 0.8103 0.2172
4 N1a N 0.1103 -1.0138
5 O6a O -1.3138 -0.1483
6 O6a O -0.6207 1.0862
7 O1a O 1.5241 -0.2069
BOND 6
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 2
6 3 7 1
ENTRY2
COMPOUND
C05699
ATOM 14
1 C1c C 19.1100 -16.5200
2 C1b C 20.3000 -15.8200
3 C6a C 17.8500 -15.8200
4 N1a N 19.1100 -17.9200
5 C1b C 21.4900 -16.5200
6 O6a O 16.6600 -16.5200
7 O6a O 17.8500 -14.4200
8 Z Se 22.7500 -15.8200
9 C1b C 23.9400 -16.5200
10 C1c C 25.1300 -15.8200
11 C6a C 26.3900 -16.5200
12 N1a N 25.1300 -14.4200
13 O6a O 27.5800 -15.8200
14 O6a O 26.3900 -17.9200
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 10 12 1
12 11 13 1
13 11 14 2