ALIGN 6
1 1:C5a 12:C5a #M1
2 2:C6a 13:C6a
3 3:C1a 10:C1b #R1
4 4:O5a 14:O5a
5 5:O6a 15:O6a
6 6:O6a 16:O6a
- * 8:C1c #D1
ENTRY1
COMPOUND
C00022
ATOM 6
1 C5a C -0.3241 0.1862
2 C6a C 0.3241 -0.1862
3 C1a C -0.9724 -0.1862
4 O5a O -0.3241 0.9379
5 O6a O 0.3241 -0.9379
6 O6a O 0.9724 0.1897
BOND 5
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
ENTRY2
COMPOUND
C04442
ATOM 16
1 P1b P 13.4503 -14.2451
2 O2b O 14.8364 -14.2451
3 O1c O 12.0709 -14.2451
4 O1c O 13.4503 -12.8655
5 O1c O 13.4503 -15.6310
6 C1b C 16.0315 -13.5583
7 C1c C 16.0315 -12.1724
8 C1c C 16.0315 -10.7928
9 O1a O 17.4176 -12.1724
10 C1b C 15.4277 -9.4069
11 O1a O 17.4176 -10.7928
12 C5a C 16.0315 -8.0272
13 C6a C 16.0315 -6.6413
14 O5a O 17.4176 -8.0272
15 O6a O 17.2268 -5.9483
16 O6a O 14.8364 -5.9483
BOND 15
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 6 7 1
7 7 8 1
8 7 9 1
9 8 10 1
10 8 11 1
11 10 12 1
12 12 13 1
13 12 14 2
14 13 15 1
15 13 16 2