File size: 1,861 Bytes
71cf5b6
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
# created with PyMOL 2.4.1
@<TRIPOS>MOLECULE
1a4q_DPC_A_1
28 29 1                 
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	  CG	-6.013	58.301	-13.730	C.2	1	DPC466	0.000	
2	 CD1	-5.586	59.639	-13.884	C.2	1	DPC466	0.000	
3	 CD2	-7.038	57.816	-14.555	C.2	1	DPC466	0.000	
4	 CE1	-6.202	60.485	-14.823	C.2	1	DPC466	0.000	
5	 CE2	-7.651	58.656	-15.490	C.2	1	DPC466	0.000	
6	  NE	-0.014	55.459	-8.430	N.3	1	DPC466	0.000	
7	  CZ	-7.249	59.992	-15.623	C.2	1	DPC466	0.000	
8	  C1	-2.416	58.309	-5.464	C.2	1	DPC466	0.000	
9	 O1A	-3.371	59.064	-5.323	O.co2	1	DPC466	0.000	
10	 O1B	-1.599	58.189	-4.561	O.co2	1	DPC466	0.000	
11	  C2	-2.344	57.469	-6.673	C.3	1	DPC466	0.000	
12	  C3	-1.412	56.518	-6.796	C.3	1	DPC466	0.000	
13	  C4	-1.379	55.627	-8.008	C.3	1	DPC466	0.000	
14	  C5	-2.212	56.191	-9.156	C.3	1	DPC466	0.000	
15	  N5	-2.499	55.126	-10.110	N.pl3	1	DPC466	0.000	
16	  C6	-3.528	56.729	-8.599	C.3	1	DPC466	0.000	
17	  O6	-3.293	57.671	-7.587	O.3	1	DPC466	0.000	
18	  C7	-4.255	57.505	-9.674	C.2	1	DPC466	0.000	
19	  O7	-3.743	58.263	-9.997	O.2	1	DPC466	0.000	
20	  N8	-5.380	57.030	-10.191	N.pl3	1	DPC466	0.000	
21	  C9	-6.081	55.852	-9.685	C.3	1	DPC466	0.000	
22	 C10	-2.137	55.141	-11.402	C.2	1	DPC466	0.000	
23	 O10	-1.563	56.100	-11.889	O.2	1	DPC466	0.000	
24	 C11	-2.443	53.871	-12.217	C.3	1	DPC466	0.000	
25	 C81	-5.971	57.810	-11.301	C.3	1	DPC466	0.000	
26	 C82	-5.395	57.417	-12.665	C.3	1	DPC466	0.000	
27	 C91	-6.962	56.171	-8.465	C.3	1	DPC466	0.000	
28	 C92	-7.837	57.431	-8.602	C.3	1	DPC466	0.000	
@<TRIPOS>BOND
1 1 2 ar
2 1 3 ar
3 2 4 ar
4 3 5 ar
5 4 7 ar
6 5 7 ar
7 8 9 ar
8 8 10 ar
9 8 11 1
10 11 12 1
11 11 17 1
12 12 13 1
13 6 13 1
14 13 14 1
15 14 15 1
16 14 16 1
17 15 22 1
18 16 17 1
19 16 18 1
20 18 19 2
21 18 20 1
22 20 21 1
23 20 25 1
24 21 27 1
25 22 23 2
26 22 24 1
27 25 26 1
28 1 26 1
29 27 28 1
@<TRIPOS>SUBSTRUCTURE
1	DPC466	1	GROUP	1 A	DPC