ALIGN 11
1 1:C1c 1:C1c #M1
2 2:N1a 2:N1b #R1
3 3:C1b 3:C1b
4 4:C6a 4:C6a
5 5:C1b 5:C1b
6 6:C5a 6:C5a
7 7:N1b 7:N1b
8 8:O5a 8:O5a
9 9:O6a 10:O6a
10 10:O6a 9:O6a
11 11:R 11:R
- * 12:C5a #D1
ENTRY1
COMPOUND
C02671
ATOM 11
1 C1c C 26.5743 -22.0794
2 N1a N 25.3634 -22.7814
3 C1b C 27.7851 -22.7814
4 C6a C 26.5743 -20.6814
5 C1b C 28.9960 -22.0794
6 C5a C 30.2129 -22.7814
7 N1b N 31.4238 -22.0794
8 O5a O 30.2129 -24.1796
9 O6a O 27.7867 -19.9814
10 O6a O 25.3619 -19.9814
11 R R 32.6362 -22.7794
BOND 10
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 3 5 1
5 5 6 1
6 6 7 1
7 6 8 2
8 4 9 2
9 4 10 1
10 7 11 1
ENTRY2
COMPOUND
C16690
ATOM 20
1 C1c C 27.8006 -21.0002
2 N1b N 26.5914 -21.7013
3 C1b C 29.0097 -21.7013
4 C6a C 27.8006 -19.6041
5 C1b C 30.2190 -21.0002
6 C5a C 31.4342 -21.7013
7 N1b N 32.6434 -21.0002
8 O5a O 31.4342 -23.0976
9 O6a O 29.0113 -18.9051
10 O6a O 26.5899 -18.9051
11 R R 33.8542 -21.6993
12 C5a C 25.3562 -20.9700
13 C1b C 24.1454 -21.6690
14 C1b C 22.9347 -20.9700
15 C1c C 21.7241 -21.6690
16 N1a N 20.5133 -20.9700
17 O5a O 25.3562 -19.5720
18 C6a C 21.7241 -23.0670
19 O6a O 22.9347 -23.7660
20 O6a O 20.5133 -23.7660
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 3 5 1
5 5 6 1
6 6 7 1
7 6 8 2
8 4 9 2
9 4 10 1
10 7 11 1
11 2 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 12 17 2
17 15 18 1 #Up
18 18 19 2
19 18 20 1
