ALIGN 3
1 6:C1c 2:C5a #R1
2 10:C1a 6:C1a #M1
3 11:O1a 7:O5a #M1
- 2:C8y * #D1
- * 1:C1d #D1
ENTRY1
COMPOUND
C05125
ATOM 29
1 N5y N -1.2034 0.0897 #+
2 C8y C -0.8241 0.8241
3 C8y C -0.6207 -0.4966
4 C1b C -1.9207 0.5000
5 S2x S -0.0103 0.6897
6 C1c C -1.1966 1.5621
7 C8y C 0.1138 -0.1241
8 C1a C -0.7552 -1.3138
9 C8y C -2.6345 0.0862
10 C1a C -2.0172 1.6103
11 O1a O -0.7414 2.2517
12 C1b C 0.8483 -0.5034
13 C8y C -2.6345 -0.7448
14 C8x C -3.3586 0.4966
15 C1b C 1.5414 -0.0552
16 N5x N -3.3586 -1.1690
17 N1a N -1.9207 -1.1586
18 N5x N -4.0690 0.0862
19 O2b O 2.2759 -0.4345
20 C8y C -4.0690 -0.7448
21 P1b P 2.9690 0.0138
22 C1a C -4.7828 -1.1586
23 O2c O 3.7034 -0.3655
24 O1c O 3.2207 -0.7724
25 O1c O 2.9276 0.8379
26 P1b P 4.3966 0.0828
27 O1c O 5.1276 -0.2931
28 O1c O 4.6483 -0.7034
29 O1c O 4.3552 0.9069
BOND 30
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 6 10 1
10 6 11 1
11 7 12 1
12 9 13 2
13 9 14 1
14 12 15 1
15 13 16 1
16 13 17 1
17 14 18 2
18 15 19 1
19 16 20 2
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 1
24 21 25 2
25 23 26 1
26 26 27 1
27 26 28 1
28 26 29 2
29 5 7 1
30 18 20 1
ENTRY2
COMPOUND
C06006
ATOM 10
1 C1d C 22.1461 -16.0600
2 C5a C 21.4348 -17.2649
3 C6a C 23.3638 -15.3551
4 C1b C 20.9286 -15.3551
5 O1a O 22.8382 -17.2649
6 C1a C 22.1333 -18.4761
7 O5a O 20.0312 -17.2584
8 O6a O 24.5622 -16.0600
9 O6a O 23.3510 -13.9515
10 C1a C 19.7171 -16.0600
BOND 9
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 2
7 3 8 1
8 3 9 2
9 4 10 1
