ALIGN 11
1 1:C5a 1:C5a
2 2:C1c 2:C1c #M1
3 3:N1b 3:N1b
4 4:O5a 4:O5a
5 5:N1a 5:N1b #R1
6 6:R 6:R
7 7:C1c 7:C1c
8 8:C6a 8:C6a
9 9:R 9:R
10 10:O6a 10:O6a
11 11:O6a 11:O6a
- * 12:C5a #D1
ENTRY1
COMPOUND
C00012
ATOM 11
1 C5a C -0.7138 -0.2034
2 C1c C -1.4897 0.2103
3 N1b N 0.0034 0.2103
4 O5a O -0.7138 -1.0276
5 N1a N -2.2034 -0.2034
6 R R -1.4897 1.0345
7 C1c C 0.7172 -0.2034
8 C6a C 1.5345 0.2103
9 R R 0.7172 -1.0276
10 O6a O 2.2483 -0.2034
11 O6a O 1.5345 1.0345
BOND 10
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 1
7 7 8 1
8 7 9 1
9 8 10 1
10 8 11 2
ENTRY2
COMPOUND
C03011
ATOM 14
1 C5a C 25.9427 -21.7240
2 C1c C 24.6220 -20.9633
3 N1b N 27.1634 -20.9633
4 O5a O 25.9427 -23.2395
5 N1b N 23.4072 -21.7240
6 R R 24.6220 -19.4478
7 C1c C 28.3784 -21.7240
8 C6a C 29.7695 -20.9633
9 R R 28.3784 -23.2395
10 O6a O 30.9845 -21.7240
11 O6a O 29.7695 -19.4478
12 C5a C 22.1948 -21.0240
13 C1a C 20.9823 -21.7240
14 O5a O 22.1948 -19.6240
BOND 13
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 7 8 1
8 7 9 1 #Down
9 8 10 1
10 8 11 2
11 5 12 1
12 12 13 1
13 12 14 2
