ALIGN 12
1 1:P1b 1:P1b
2 2:O2b 2:O2b
3 3:O1c 4:O1c
4 4:O1c 3:O1c
5 5:O1c 5:O1c
6 6:C1b 6:C1b
7 7:C1c 7:C1c
8 8:C1c 8:C1c #M1
9 9:O1a 9:O1a
10 10:C4a 10:C6a #R1
11 11:O1a 11:O1a
12 12:O4a 13:O6a #M1
- * 12:O6a #D1
ENTRY1
COMPOUND
C00279
ATOM 12
1 P1b P 22.7178 -18.4698
2 O2b O 21.3523 -18.4636
3 O1c O 22.7430 -19.8101
4 O1c O 22.6926 -17.1099
5 O1c O 24.1399 -18.4636
6 C1b C 20.1631 -17.7777
7 C1c C 20.1631 -16.0221
8 C1c C 20.1631 -14.6504
9 O1a O 21.5348 -16.0221
10 C4a C 20.1631 -13.2849
11 O1a O 21.5348 -14.6504
12 O4a O 21.3523 -12.5992
BOND 11
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 2
ENTRY2
COMPOUND
C03393
ATOM 13
1 P1b P 19.5844 -16.8571
2 O2b O 18.1808 -16.8571
3 O1c O 20.9817 -16.8571
4 O1c O 19.5715 -18.1844
5 O1c O 19.5715 -15.5233
6 C1b C 16.9766 -16.1552
7 C1c C 16.9831 -14.7515
8 C1c C 16.9894 -13.3542
9 O1a O 18.2404 -14.7515
10 C6a C 16.9960 -11.9506
11 O1a O 18.2531 -13.3542
12 O6a O 15.7854 -11.2552
13 O6a O 18.2063 -11.2423
BOND 12
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 10 13 2
