ALIGN 10
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 #M1
8 8:C4a 8:C1c #R1
9 9:O1a 9:O1a
10 10:O4a 11:O1a #M1
- * 10:C1b #D1
ENTRY1
COMPOUND
C00118
ATOM 10
1 P1b P 23.3673 -17.8271
2 O2b O 21.9627 -17.8657
3 O1c O 23.4124 -19.2694
4 O1c O 24.6768 -17.8584
5 O1c O 23.3987 -16.4547
6 C1b C 20.7579 -17.1763
7 C1c C 20.7579 -15.5618
8 C4a C 20.7579 -14.0237
9 O1a O 22.0924 -15.5618
10 O4a O 21.9756 -13.3914
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 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