@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3848
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.6064     0.2603     1.2153	O.3	1	noname	-0.2839
2	C1    -3.3124     0.5103     0.9183	C.2	1	noname	0.0178
3	C2    -2.3705    -0.5375     0.9264	C.2	1	noname	0.0220
4	C3    -2.9125     1.8263     0.6064	C.2	1	noname	-0.0127
5	C4    -1.0366    -0.2374     0.6144	C.2	1	noname	0.0177
6	C5    -1.5676     2.1114     0.2954	C.2	1	noname	-0.0196
7	N1     0.0232    -1.0513     0.5765	N.2	1	noname	-0.2405
8	C6    -0.6327     1.0575     0.2915	C.2	1	noname	-0.0546
9	C7     1.0641    -0.2683     0.2365	C.2	1	noname	-0.0347
10	N2     0.6951     1.0195     0.0465	N.3	1	noname	-0.0191
11	C8     1.5341     2.0415    -0.3203	C.2	1	noname	-0.0236
12	C9     1.1360     3.0145    -1.2663	C.2	1	noname	-0.0547
13	C10     2.8350     2.1355     0.2266	C.2	1	noname	-0.0547
14	C11     2.0020     4.0545    -1.6422	C.2	1	noname	-0.0619
15	C12     3.7039     3.1745    -0.1483	C.2	1	noname	-0.0619
16	C13     3.2859     4.1366    -1.0812	C.2	1	noname	-0.0850
17	H1    -4.8044    -0.6765     1.4263	H	1	noname	0.2181
18	H2    -2.6486    -1.4914     1.1584	H	1	noname	0.0673
19	H3    -3.6005     2.5794     0.6104	H	1	noname	0.0650
20	H4    -1.2836     3.0674     0.0864	H	1	noname	0.0644
21	H5     2.0161    -0.6213     0.1226	H	1	noname	0.1019
22	H6     0.2140     2.9605    -1.6992	H	1	noname	0.0642
23	H7     3.1519     1.4486     0.9106	H	1	noname	0.0642
24	H8     1.6989     4.7485    -2.3262	H	1	noname	0.0623
25	H9     4.6368     3.2306     0.2597	H	1	noname	0.0623
26	H10     3.9158     4.8916    -1.3542	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	17	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	18	1
7	4	6	2
8	4	19	1
9	5	7	1
10	5	8	2
11	6	8	1
12	6	20	1
13	7	9	2
14	8	10	1
15	9	10	1
16	9	21	1
17	10	11	1
18	11	12	2
19	11	13	1
20	12	14	1
21	12	22	1
22	13	15	2
23	13	23	1
24	14	16	2
25	14	24	1
26	15	16	1
27	15	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1