@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3748
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.7500     2.1003     1.2248	N.2	1	noname	-0.2326
2	C1     0.5820     2.6473     1.6578	C.2	1	noname	0.0386
3	C2     2.2380     2.3063    -0.0281	C.2	1	noname	0.0242
4	N2     0.1030     2.4303     2.9009	N.3	1	noname	-0.0967
5	C3    -0.1349     3.4503     0.7609	C.2	1	noname	0.0222
6	N3     1.5519     3.0824    -0.9070	N.2	1	noname	-0.2441
7	C4     0.7639     1.6404     3.8849	C.3	1	noname	0.0352
8	N4    -1.2959     4.1163     0.8869	N.3	1	noname	-0.0330
9	C5     0.3849     3.6423    -0.5150	C.2	1	noname	0.0249
10	C6    -0.1680     1.3874     5.0079	C.2	1	noname	-0.0474
11	C7     2.0488     2.3344     4.3839	C.3	1	noname	-0.0452
12	C8    -1.5460     4.7383    -0.2789	C.2	1	noname	-0.0690
13	C9    -0.5140     4.4624    -1.1809	C.2	1	noname	-0.0009
14	C10    -0.5190     0.0675     5.3609	C.2	1	noname	-0.0523
15	C11    -0.7250     2.4584     5.7409	C.2	1	noname	-0.0523
16	C12    -2.6260     5.5534    -0.6519	C.2	1	noname	-0.0408
17	C13    -0.5200     4.9844    -2.4839	C.2	1	noname	-0.0281
18	C14    -1.4060    -0.1784     6.4230	C.2	1	noname	-0.0592
19	C15    -1.6131     2.2145     6.8030	C.2	1	noname	-0.0592
20	C16    -2.6470     6.0854    -1.9568	C.2	1	noname	-0.0506
21	C17    -1.6021     5.8034    -2.8658	C.2	1	noname	-0.0518
22	C18    -1.9531     0.8955     7.1440	C.2	1	noname	-0.0613
23	H1     3.1189     1.8754    -0.3090	H	1	noname	0.1062
24	H2    -0.7559     2.8174     3.1309	H	1	noname	0.1303
25	H3     1.0529     0.6884     3.4319	H	1	noname	0.0517
26	H4    -1.8550     4.1454     1.6789	H	1	noname	0.1529
27	H5     2.4998     1.7494     5.1869	H	1	noname	0.0250
28	H6     2.7668     2.4144     3.5680	H	1	noname	0.0250
29	H7     1.8228     3.3364     4.7519	H	1	noname	0.0250
30	H8    -0.1281    -0.7204     4.8430	H	1	noname	0.0626
31	H9    -0.4851     3.4205     5.5000	H	1	noname	0.0626
32	H10    -3.3800     5.7554     0.0061	H	1	noname	0.0642
33	H11     0.2368     4.7775    -3.1368	H	1	noname	0.0630
34	H12    -1.6521    -1.1373     6.6700	H	1	noname	0.0622
35	H13    -2.0111     2.9955     7.3250	H	1	noname	0.0622
36	H14    -3.4230     6.6804    -2.2478	H	1	noname	0.0623
37	H15    -1.6321     6.1954    -3.8068	H	1	noname	0.0622
38	H16    -2.5971     0.7175     7.9151	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	23	1
7	4	7	1
8	4	24	1
9	5	8	1
10	5	9	2
11	6	9	1
12	7	10	1
13	7	11	1
14	7	25	1
15	8	12	1
16	8	26	1
17	9	13	1
18	10	14	2
19	10	15	1
20	11	27	1
21	11	28	1
22	11	29	1
23	12	16	1
24	12	13	2
25	13	17	1
26	14	18	1
27	14	30	1
28	15	19	2
29	15	31	1
30	16	20	2
31	16	32	1
32	17	21	2
33	17	33	1
34	18	22	2
35	18	34	1
36	19	22	1
37	19	35	1
38	20	21	1
39	20	36	1
40	21	37	1
41	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1