ALIGN 4
1 29:P1b 1:P1b #R1
2 30:O1c 3:O1c #M1
3 31:O1c 4:O1c #M1
4 32:O1c 5:O1c #M1
- 26:O2c * #D1
- * 2:O2b #D1
ENTRY1
COMPOUND
C00044
ATOM 32
1 N4y N 2.3724 0.5379
2 C8y C 2.9966 0.0966
3 C1y C 1.6103 0.2862
4 C8x C 2.6483 1.3586
5 C8y C 3.7241 0.6379
6 N5x N 3.0759 -0.7414
7 O2x O 0.9379 0.7931
8 C1y C 1.3552 -0.4517
9 N5x N 3.5034 1.3552
10 C8y C 4.4621 0.3069
11 C8y C 3.8586 -1.0828
12 C1y C 0.2862 0.3207
13 C1y C 0.5414 -0.4517
14 O1a O 1.8310 -1.1172
15 N4x N 4.5586 -0.5690
16 O5x O 5.1138 0.7966
17 N1a N 3.9483 -1.9000
18 C1b C -0.4931 0.5793
19 O1a O 0.2759 -1.2276
20 O2b O -1.1069 0.0310
21 P1b P -1.9310 0.0310
22 O2c O -2.7586 0.0310
23 O1c O -1.9379 -0.7931
24 O1c O -1.9379 0.8552
25 P1b P -3.5828 0.0345
26 O2c O -4.4069 0.0345
27 O1c O -3.5862 -0.7897
28 O1c O -3.5862 0.8621
29 P1b P -5.2310 0.0414
30 O1c O -5.2379 -0.7862
31 O1c O -6.0586 0.0448
32 O1c O -5.2379 0.8655
BOND 34
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 1
15 10 16 2
16 11 17 1
17 12 18 1 #Up
18 13 19 1 #Down
19 18 20 1
20 20 21 1
21 21 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 25 26 1
26 25 27 1
27 25 28 2
28 26 29 1
29 29 30 1
30 29 31 1
31 29 32 2
32 5 9 1
33 11 15 1
34 12 13 1
ENTRY2
COMPOUND
C00074
ATOM 10
1 P1b P 23.3383 -16.8664
2 O2b O 21.9421 -16.8599
3 O1c O 24.6773 -16.8664
4 O1c O 23.3254 -18.4090
5 O1c O 23.3254 -15.4003
6 C2c C 20.7261 -16.1716
7 C6a C 20.7261 -14.7689
8 C2a C 19.5165 -16.8664
9 O6a O 21.9421 -14.0741
10 O6a O 19.5102 -14.0741
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 6 8 2
8 7 9 1
9 7 10 2
