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 8:O6a
7 7:O6a 7:O6a
8 8:C1b 11:C1b
9 9:C1b 13:C1b
10 10:N1a 15:N1a
- * 5:C5a #D1
ENTRY1
COMPOUND
C00047
ATOM 10
1 C1c C 23.8445 -19.4489
2 C1b C 25.0597 -18.7711
3 C6a C 22.6936 -18.7010
4 N1a N 23.8854 -20.8569
5 C1b C 26.2691 -19.4839
6 O6a O 21.4667 -19.3847
7 O6a O 22.6468 -17.2987
8 C1b C 27.4962 -18.8003
9 C1b C 28.7056 -19.5190
10 N1a N 29.9325 -18.8353
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 9 10 1
ENTRY2
COMPOUND
C05341
ATOM 15
1 C1c C 0.1103 -0.0897
2 N1b N -0.7310 -0.9414
3 C1b C 0.9552 -0.9345
4 C6a C 0.1069 1.1103
5 C5a C -1.5759 -0.0931
6 C1b C 1.8000 -0.0862
7 O6a O -0.7448 1.9586
8 O6a O 1.1448 1.7138
9 C1b C -2.4172 -0.9448
10 O5a O -1.5793 1.1069
11 C1b C 2.6448 -0.9310
12 C1b C -3.2655 -0.0966
13 C1b C 3.4862 -0.0828
14 N1a N -4.2655 -0.7655
15 N1a N 4.3310 -0.9276
BOND 14
1 1 2 1
2 1 3 1
3 1 4 1 #Down
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 12 14 1
14 13 15 1
