ALIGN 10
1 1:P1b 1:P1b #M1
2 2:O2b 2:O2b
3 3:O1c 4:O1c
4 4:O1c 3:O2b #R1
5 5:O1c 5:O1c
6 6:C1b 6:C1b
7 7:C1c 8:C1c
8 8:C1b 10:C1b
9 9:O1a 11:O1a
10 10:O1a 13:O1a
- * 7:C1b #D1
ENTRY1
COMPOUND
C00093
ATOM 10
1 P1b P 9.9288 -8.7944
2 O2b O 9.9288 -9.5426
3 O1c O 9.9253 -8.0393
4 O1c O 9.1806 -8.7772
5 O1c O 10.6845 -8.7909
6 C1b C 9.0978 -9.9169
7 C1c C 8.2669 -9.5087
8 C1b C 7.4740 -9.8790
9 O1a O 8.2194 -8.7427
10 O1a O 6.6397 -9.4432
BOND 9
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 #Up
9 8 10 1
ENTRY2
COMPOUND
C00670
ATOM 16
1 P1b P -0.4414 0.0897
2 O2b O -0.4552 0.9103
3 O2b O -0.4379 -0.7345
4 O1c O -1.2517 0.0931
5 O1c O 0.3621 0.0966
6 C1b C -0.0483 1.6310
7 C1b C 0.2586 -1.1448
8 C1c C -0.4586 2.3483
9 C1b C 0.2621 -1.9690
10 C1b C -0.0517 3.0690
11 O1a O -1.2724 2.3448
12 N1d N 0.9655 -2.3793 #+
13 O1a O -0.4655 3.7862
14 C1a C 0.9690 -3.2069
15 C1a C 1.6621 -1.9655
16 C1a C 0.3966 -2.9655
BOND 15
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 3 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 8 11 1 #Down
11 9 12 1
12 10 13 1
13 12 14 1
14 12 15 1
15 12 16 1
