ALIGN 7
1 1:C1c 3:C1c #M1
2 2:C6a 2:C6a
3 3:C1b 10:C1b
4 4:N1a 4:N1b #R1
5 5:O6a 1:O6a
6 6:O6a 12:O6a
7 7:O1a 11:O1a
- * 5:C5a #D1
ENTRY1
COMPOUND
C00740
ATOM 7
1 C1c C 25.6261 -16.2057
2 C6a C 24.4745 -15.4573
3 C1b C 26.8538 -15.5218
4 N1a N 25.6670 -17.6088
5 O6a O 23.2526 -16.1414
6 O6a O 24.4977 -14.0485
7 O1a O 28.0639 -16.2408
BOND 6
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 2
6 3 7 1
ENTRY2
COMPOUND
C19719
ATOM 12
1 O6a O 11.6649 -12.6000
2 C6a C 12.8773 -13.3000
3 C1c C 14.0897 -12.6000
4 N1b N 15.3022 -13.3000
5 C5a C 16.5146 -12.6000
6 C1c C 17.7270 -13.3000
7 C1a C 18.9395 -12.6000
8 N1a N 17.7270 -14.6999
9 O5a O 16.5146 -11.2000
10 C1b C 14.0897 -11.2001
11 O1a O 12.8625 -10.4915
12 O6a O 12.8773 -14.7000
BOND 11
1 1 2 1
2 2 3 1
3 3 4 1 #Up
4 4 5 1
5 5 6 1
6 6 7 1
7 6 8 1 #Up
8 5 9 2
9 3 10 1
10 10 11 1
11 2 12 2