ALIGN 10
1 1:C1c 41:C1c #M1
2 2:C1b 44:C1b
3 3:C6a 45:C6a
4 4:N1a 36:N1b #R1
5 5:C1b 48:C1b
6 6:O6a 49:O6a
7 7:O6a 50:O6a
8 8:C6a 54:C6a
9 9:O6a 56:O6a
10 10:O6a 57:O6a
- * 32:C5a #D1
ENTRY1
COMPOUND
C00217
ATOM 10
1 C1c C 20.3373 -15.3609
2 C1b C 21.5254 -14.6234
3 C6a C 19.1024 -14.6995
4 N1a N 20.3782 -16.7596
5 C1b C 22.7603 -15.2789
6 O6a O 17.9435 -15.4955
7 O6a O 19.1199 -13.3008
8 C6a C 23.9484 -14.5415
9 O6a O 25.1832 -15.2029
10 O6a O 23.9016 -13.1427
BOND 9
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 2
7 5 8 1
8 8 9 1
9 8 10 2
ENTRY2
COMPOUND
C00692
ATOM 58
1 C1y C -0.6414 1.1379
2 C1y C -0.6414 0.4379
3 O2x O -1.2483 1.4828
4 O2b O -0.0448 1.4828
5 C1y C -1.2483 0.0828
6 N1b N 0.0310 -0.1897
7 C1y C -1.8483 1.1379
8 P1b P 0.6483 1.4828
9 C1y C -1.8483 0.4379
10 O2a O -1.2483 -0.6034
11 C5a C 0.0379 -0.8828
12 C1b C -2.4414 1.4828
13 O2c O 1.3414 1.4828
14 O1c O 0.6483 2.1724
15 O1c O 0.6483 0.7931
16 O1a O -2.4483 0.0966
17 C1c C -1.8483 -0.9483
18 C1a C 0.6310 -1.2241
19 O5a O -0.5621 -1.2276
20 O1a O -2.4517 2.1759
21 P1b P 2.0276 1.4828
22 C5a C -1.8517 -1.6414
23 C1a C -2.4483 -0.6034
24 O2b O 2.7207 1.4828
25 O1c O 2.0276 2.1724
26 O1c O 2.0276 0.7931
27 N1b N -2.6172 -2.2310
28 O5a O -1.2517 -1.9862
29 C1b C 2.8655 0.8069
30 C1c C -2.6241 -2.9138
31 C1y C 3.5241 0.5966
32 C5a C -3.2862 -3.1414
33 C1a C -2.0379 -3.3034
34 O2x O 4.0793 0.9931
35 C1y C 3.7517 -0.0621
36 N1b N -3.8483 -2.7345
37 O5a O -3.2862 -3.8276
38 C1y C 4.6448 0.5828
39 C1y C 4.4414 -0.0621
40 O1a O 3.3448 -0.6276
41 C1c C -4.1138 -2.0207
42 N4y N 5.1828 1.7035
43 O1a O 4.8483 -0.6207
44 C1b C -4.7828 -1.8552
45 C6a C -3.5931 -1.5759
46 C8y C 4.5897 2.0621
47 C8x C 5.7931 2.0621
48 C1b C -5.3035 -2.3000
49 O6a O -2.9207 -1.7517
50 O6a O -3.8310 -0.9379
51 N4x N 4.5897 2.7586
52 O5x O 3.9897 1.7172
53 C8x C 5.7931 2.7586
54 C6a C -5.8965 -1.9483
55 C8y C 5.1862 3.1069
56 O6a O -6.4828 -2.2966
57 O6a O -5.9000 -1.2517
58 O5x O 5.1862 3.7966
BOND 60
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1 #Up
12 8 13 1
13 8 14 1
14 8 15 2
15 9 16 1 #Down
16 10 17 1
17 11 18 1
18 11 19 2
19 12 20 1
20 13 21 1
21 17 22 1
22 17 23 1
23 21 24 1
24 21 25 1
25 21 26 2
26 22 27 1
27 22 28 2
28 24 29 1
29 27 30 1
30 31 29 1 #Up
31 30 32 1
32 30 33 1
33 31 34 1
34 31 35 1
35 32 36 1
36 32 37 2
37 34 38 1
38 35 39 1
39 35 40 1 #Down
40 41 36 1 #Down
41 38 42 1 #Up
42 39 43 1 #Down
43 41 44 1
44 41 45 1
45 42 46 1
46 42 47 1
47 44 48 1
48 45 49 1
49 45 50 2
50 46 51 1
51 46 52 2
52 47 53 2
53 48 54 1
54 51 55 1
55 54 56 1
56 54 57 2
57 55 58 2
58 7 9 1
59 38 39 1
60 53 55 1
