ALIGN 37
1 1:C1y 1:C1y
2 2:N4y 2:N4y
3 3:O2x 3:O2x
4 4:C1y 4:C1y
5 5:C8y 5:C8y
6 6:C8x 6:C8x
7 7:C1y 7:C1y
8 8:C1y 8:C1y
9 9:O1a 9:O1a
10 10:N4x 10:N4x
11 11:O5x 11:O5x
12 12:C8x 12:C8x
13 13:C1b 13:C1b
14 14:O1a 14:O1a
15 15:C8y 15:C8y
16 16:O2b 16:O2b
17 17:O5x 17:O5x
18 18:P1b 18:P1b
19 19:O2c 19:O2c
20 20:O1c 20:O1c
21 21:O1c 21:O1c
22 22:P1b 22:P1b
23 23:O2b 23:O2b
24 24:O1c 24:O1c
25 25:O1c 25:O1c
26 26:C1y 26:C1y
27 27:C1y 27:C1y
28 28:O2x 28:O2x
29 29:C1y 29:C1y #M1
30 30:N1b 30:N1b
31 31:C1y 31:C1y #M1
32 32:C5x 32:C1y #R1
33 33:O1a 33:O1a
34 34:C5a 34:C5a
35 35:C1a 35:C1a
36 37:C1a 37:C1a
37 38:O5a 38:O5a
- 36:O5x * #D1
- * 36:N1a #D1
ENTRY1
COMPOUND
C04613
ATOM 38
1 C1y C 3.2103 -0.5138
2 N4y N 3.8414 0.8000
3 O2x O 2.5483 -0.0310
4 C1y C 2.9724 -1.2655
5 C8y C 3.1448 1.2138
6 C8x C 4.5517 1.2138
7 C1y C 1.9035 -0.5000
8 C1y C 2.1621 -1.2655
9 O1a O 3.4448 -1.9207
10 N4x N 3.1448 2.0310
11 O5x O 2.4448 0.8138
12 C8x C 4.5517 2.0310
13 C1b C 1.1345 -0.2517
14 O1a O 1.6897 -1.9241
15 C8y C 3.8448 2.4379
16 O2b O 0.9655 0.5345
17 O5x O 3.8414 3.2379
18 P1b P 0.1552 0.5379
19 O2c O -0.6552 0.5379
20 O1c O 0.1552 1.3448
21 O1c O 0.1517 -0.2690
22 P1b P -1.4586 0.5379
23 O2b O -2.2690 0.5379
24 O1c O -1.4586 1.3448
25 O1c O -1.4586 -0.2690
26 C1y C -2.9655 0.1379
27 C1y C -2.9655 -0.6793
28 O2x O -3.6759 0.5379
29 C1y C -3.6759 -1.0931
30 N1b N -2.2897 -1.1759
31 C1y C -4.3759 0.1379
32 C5x C -4.3759 -0.6793
33 O1a O -3.6793 -1.9035
34 C5a C -1.7069 -1.7621
35 C1a C -5.0759 0.5379
36 O5x O -5.0793 -1.0828
37 C1a C -1.7103 -2.5862
38 O5a O -0.9897 -1.3414
BOND 40
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1 #Up
13 8 14 1 #Down
14 10 15 1
15 13 16 1
16 15 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 26 23 1 #Up
26 26 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 29 32 1
32 29 33 1 #Up
33 30 34 1
34 31 35 1 #Up
35 32 36 2
36 34 37 1
37 34 38 2
38 7 8 1
39 12 15 1
40 31 32 1
ENTRY2
COMPOUND
C04630
ATOM 38
1 C1y C 23.6200 -15.6266
2 N4y N 24.6751 -13.4294
3 O2x O 22.5152 -14.8197
4 C1y C 23.2228 -16.8865
5 C8y C 23.5145 -12.7343
6 C8x C 25.8668 -12.7343
7 C1y C 21.4353 -15.6017
8 C1y C 21.8698 -16.8865
9 O1a O 24.0172 -17.9088
10 N4x N 23.5145 -11.3687
11 O5x O 22.3415 -13.4046
12 C8x C 25.8668 -11.3687
13 C1b C 20.1505 -15.1921
14 O1a O 21.0816 -17.9150
15 C8y C 24.6814 -10.6923
16 O2b O 19.8651 -13.8701
17 O5x O 24.6814 -9.3455
18 P1b P 18.5121 -13.8701
19 O2c O 17.1591 -13.8701
20 O1c O 18.5121 -12.5171
21 O1c O 18.5058 -15.2169
22 P1b P 15.8122 -13.8701
23 O2b O 14.4593 -13.8639
24 O1c O 15.8122 -12.5171
25 O1c O 15.8122 -15.2169
26 C1y C 13.1310 -14.5961
27 C1y C 13.1310 -15.9617
28 O2x O 11.9455 -13.9197
29 C1y C 11.9455 -16.6505
30 N1b N 14.7944 -16.8429
31 C1y C 10.7787 -14.5961
32 C1y C 10.7787 -15.9617
33 O1a O 11.9455 -17.9974
34 C5a C 15.8974 -17.5895
35 C1a C 9.6120 -13.9197
36 N1a N 9.6057 -16.6257
37 C1a C 15.9159 -19.0231
38 O5a O 17.0643 -16.8492
BOND 40
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1 #Up
13 8 14 1 #Down
14 10 15 1
15 13 16 1
16 15 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 26 23 1 #Up
26 26 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 29 32 1
32 29 33 1 #Up
33 30 34 1
34 31 35 1 #Up
35 32 36 1 #Down
36 34 37 1
37 34 38 2
38 7 8 1
39 12 15 1
40 31 32 1
