ALIGN 16
1 1:P1b 10:P1b
2 2:O2b 6:O2b
3 3:O2b 12:O2b
4 4:O1c 13:O1c
5 5:O1c 11:O1c
6 6:C1b 4:C1b
7 7:C1b 14:C1b
8 8:C1c 2:C1c
9 9:C1b 15:C1b
10 10:C1b 1:C1b #M1
11 11:O1a 5:O1a
12 12:N1d 16:N1d
13 14:C1a 17:C1a
14 15:C1a 18:C1a
15 16:C1a 19:C1a
16 13:O1a 3:O7a #R1
- * 7:C7a #D1
ENTRY1
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
ENTRY2
COMPOUND
C04230
ATOM 19
1 C1b C 4.2583 -6.6417
2 C1c C 4.2542 -7.4708
3 O7a O 5.0875 -6.6417
4 C1b C 4.2500 -8.3000
5 O1a O 3.4250 -7.4667
6 O2b O 5.0792 -8.3000
7 C7a C 5.9167 -6.6417
8 O6a O 5.9125 -5.8125
9 R R 6.7458 -6.6417
10 P1b P 5.9083 -8.3000
11 O1c O 5.9042 -7.4708
12 O2b O 6.7375 -8.3000
13 O1c O 5.9042 -9.1292
14 C1b C 7.4542 -7.8792
15 C1b C 8.1708 -8.2958
16 N1d N 8.8875 -7.8750 #+
17 C1a C 8.8833 -7.0458
18 C1a C 9.1000 -8.6750
19 C1a C 9.6875 -8.0917
BOND 18
1 6 10 1
2 1 3 1
3 10 11 2
4 4 6 1
5 10 12 1
6 1 2 1
7 10 13 1
8 3 7 1
9 12 14 1
10 2 4 1
11 14 15 1
12 7 8 2
13 15 16 1
14 16 17 1
15 7 9 1
16 16 18 1
17 2 5 1
18 16 19 1
