ALIGN 10
1 1:C1c 44:C1c #M1
2 2:C1b 45:C1b
3 3:C6a 46:C6a
4 4:N1a 42:N1b #R1
5 5:C1b 47:C1b
6 6:O6a 48:O6a
7 7:O6a 49:O6a
8 8:C6a 50:C6a
9 9:O6a 52:O6a
10 10:O6a 51:O6a
- * 41:C5a #D1
ENTRY1
COMPOUND
C00025
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 #Down
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
C05929
ATOM 52
1 C8y C -4.7931 -0.4276
2 C8y C -4.7862 -0.9862
3 N1x N -4.3069 -0.1483
4 C8y C -5.2724 -0.1483
5 N1x N -4.3000 -1.2655
6 N5x N -5.2724 -1.2655
7 C1y C -3.8241 -0.4241
8 N4x N -5.7586 -0.4276
9 O5x O -5.2828 0.4103
10 C1x C -3.8241 -0.9828
11 C8y C -5.7586 -0.9862
12 C1b C -3.3448 -0.1448
13 N1a N -6.2379 -1.2655
14 N1c N -2.8621 -0.4241
15 C8y C -2.3759 -0.1414
16 C4a C -2.8621 -0.9828
17 C8x C -2.3793 0.4172
18 C8x C -1.8931 -0.4207
19 O4a O -2.3793 -1.2655
20 C8x C -1.8966 0.7000
21 C8x C -1.4069 -0.1345
22 C8y C -1.4103 0.4241
23 C5a C -0.9310 0.7000
24 N1b N -0.4483 0.4241
25 O5a O -0.9345 1.2621
26 C1c C 0.0345 0.7034
27 C1b C 0.5207 0.4276
28 C6a C 0.0310 1.2621
29 C1b C 0.5310 -0.1276
30 O6a O 0.5138 1.5414
31 O6a O -0.4552 1.5414
32 C5a C 1.0207 -0.3966
33 N1b N 1.7655 -0.1103
34 O5a O 1.0241 -0.9552
35 C1c C 2.2517 -0.3897
36 C1b C 2.7310 -0.1103
37 C6a C 2.2448 -0.9483
38 C1b C 2.7414 0.4414
39 O6a O 2.7310 -1.2276
40 O6a O 1.7621 -1.2207
41 C5a C 3.2345 0.7138
42 N1b N 4.0172 0.4345
43 O5a O 3.2414 1.2724
44 C1c C 4.5034 0.7103
45 C1b C 4.9897 0.4345
46 C6a C 4.5000 1.2690
47 C1b C 5.0000 -0.1207
48 O6a O 4.9793 1.5483
49 O6a O 4.0138 1.5448
50 C6a C 5.4897 -0.3897
51 O6a O 6.0379 -0.0724
52 O6a O 5.4931 -0.9517
BOND 54
1 1 2 2
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 2
9 5 10 1
10 6 11 2
11 7 12 1
12 11 13 1
13 12 14 1
14 14 15 1
15 14 16 1
16 15 17 2
17 15 18 1
18 16 19 2
19 17 20 1
20 18 21 2
21 20 22 2
22 22 23 1
23 23 24 1
24 23 25 2
25 24 26 1
26 26 27 1
27 26 28 1
28 27 29 1
29 28 30 1
30 28 31 2
31 29 32 1
32 32 33 1
33 32 34 2
34 33 35 1
35 35 36 1
36 35 37 1
37 36 38 1
38 37 39 1
39 37 40 2
40 38 41 1
41 41 42 1
42 41 43 2
43 42 44 1
44 44 45 1
45 44 46 1
46 45 47 1
47 46 48 1
48 46 49 2
49 47 50 1
50 50 51 1
51 50 52 2
52 7 10 1
53 8 11 1
54 21 22 1
BRACKET 1 1.2966 -0.5517 1.2966 0.0655
1 3.5000 0.9069 3.5000 0.2759
1 n
