ALIGN 11
1 1:N1a 1:N1b #R1
2 2:C1c 2:C1c #M1
3 3:C5a 3:C5a
4 4:N1b 4:N1b
5 5:O5a 5:O5a
6 6:C1c 6:C1c
7 7:R 7:R
8 8:C6a 8:C6a
9 9:O6a 10:O6a
10 10:O6a 9:O6a
11 11:R 11:R
- * 12:C5a #D1
ENTRY1
COMPOUND
C00017
ATOM 11
1 N1a N 23.5200 -21.2800
2 C1c C 24.7100 -20.5800
3 C5a C 25.9700 -21.2800
4 N1b N 27.1600 -20.5800
5 O5a O 25.9700 -22.6800
6 C1c C 28.3500 -21.2800
7 R R 28.3500 -22.6800
8 C6a C 29.6100 -20.5800
9 O6a O 29.6100 -19.1800
10 O6a O 30.8000 -21.2800
11 R R 24.7100 -19.1800
BOND 10
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 2
5 4 6 1
6 6 7 1 #Down
7 6 8 1
8 8 9 2
9 8 10 1
10 2 11 1 #Up
ENTRY2
COMPOUND
C02429
ATOM 19
1 N1b N 23.5200 -21.2800
2 C1c C 24.7100 -20.5800
3 C5a C 25.9700 -21.2800
4 N1b N 27.1600 -20.5800
5 O5a O 25.9700 -22.6800
6 C1c C 28.3500 -21.2800
7 R R 28.3500 -22.6800
8 C6a C 29.6100 -20.5800
9 O6a O 29.6100 -19.1800
10 O6a O 30.8000 -21.2800
11 R R 24.7100 -19.1800
12 C5a C 22.3076 -20.5800
13 C1c C 21.0951 -21.2800
14 O5a O 22.3076 -19.1800
15 N1a N 19.8827 -20.5800
16 C1b C 21.0951 -22.6800
17 C1c C 22.3076 -23.3800
18 C1a C 22.3076 -24.7800
19 C1a C 23.5200 -22.6800
BOND 18
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 2
5 4 6 1
6 6 7 1 #Down
7 6 8 1
8 8 9 2
9 8 10 1
10 2 11 1 #Up
11 1 12 1
12 12 13 1
13 12 14 2
14 13 15 1
15 13 16 1 #Down
16 16 17 1
17 17 18 1
18 17 19 1
