ALIGN 10
1 1:C1c 3:C1c #M1
2 2:C1b 4:C1b
3 3:C6a 2:C6a
4 4:N1a 10:N1b #R1
5 5:C1b 5:C1b
6 6:O6a 1:O6a
7 7:O6a 9:O6a
8 8:C1b 6:C1b
9 9:C1b 7:C1b
10 10:N1a 8:N1a
- * 11:C5a #D1
ENTRY1
COMPOUND
C00047
ATOM 10
1 C1c C 29.3300 -16.8700
2 C1b C 28.1400 -16.1700
3 C6a C 30.5200 -16.1000
4 N1a N 29.3300 -18.2700
5 C1b C 26.9500 -16.8700
6 O6a O 31.7100 -16.8000
7 O6a O 30.5200 -14.7000
8 C1b C 25.6900 -16.2400
9 C1b C 24.5000 -16.9400
10 N1a N 23.2400 -16.2400
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 9 10 1
ENTRY2
COMPOUND
C19889
ATOM 20
1 O6a O 17.7805 -13.3706
2 C6a C 18.9929 -12.6706
3 C1c C 20.2054 -13.3706
4 C1b C 21.4180 -12.6706
5 C1b C 22.6304 -13.3706
6 C1b C 23.8429 -12.6706
7 C1b C 25.0554 -13.3706
8 N1a N 26.2678 -12.6706
9 O6a O 18.9929 -11.2706
10 N1b N 20.2054 -14.7704
11 C5a C 18.9929 -15.4705
12 C1b C 18.9929 -16.8705
13 O5a O 17.7639 -14.7606
14 C1b C 17.7805 -17.5705
15 C1c C 17.7805 -18.9706
16 C6a C 18.9929 -19.6706
17 N1b N 16.5680 -19.6706
18 O6a O 18.9929 -21.0706
19 O6a O 20.1883 -18.9802
20 R R 15.1680 -19.6706
BOND 19
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 2 9 2
9 3 10 1 #Down
10 10 11 1
11 11 12 1
12 11 13 2
13 12 14 1
14 15 14 1 #Up
15 15 16 1
16 15 17 1
17 16 18 2
18 16 19 1
19 17 20 1
