@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3878
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1376     3.1185     5.7074	S.3	1	noname	-0.2725
2	C1     1.6506     1.7285     4.7945	C.2	1	noname	-0.0054
3	C2     1.4096     4.0955     4.4784	C.2	1	noname	0.0125
4	C3     0.9535     1.9955     3.6135	C.2	1	noname	0.0115
5	C4     0.8326     3.3725     3.4445	C.2	1	noname	0.0048
6	N1     0.4935     1.0346     2.7486	N.3	1	noname	-0.0187
7	C5    -0.5595     1.0746     1.9036	C.2	1	noname	-0.0539
8	C6     1.0515    -0.1863     2.5766	C.2	1	noname	-0.0344
9	C7    -0.5945    -0.1402     1.2227	C.2	1	noname	0.0183
10	C8    -1.5495     2.0457     1.6537	C.2	1	noname	-0.0191
11	N2     0.4084    -0.9152     1.6476	N.2	1	noname	-0.2399
12	C9    -1.5776    -0.4232     0.2617	C.2	1	noname	0.0235
13	C10    -2.5425     1.7757     0.6917	C.2	1	noname	-0.0113
14	C11    -2.5636     0.5517    -0.0112	C.2	1	noname	0.0193
15	O1    -3.5626     0.3808    -0.9251	O.3	1	noname	-0.2753
16	C12    -3.6787    -0.7991    -1.7261	C.3	1	noname	0.0423
17	H1     1.8535     0.7815     5.1125	H	1	noname	0.0759
18	H2     1.4166     5.1155     4.5065	H	1	noname	0.0739
19	H3     0.3935     3.8145     2.6385	H	1	noname	0.0651
20	H4     1.8764    -0.5232     3.0767	H	1	noname	0.1019
21	H5    -1.5636     2.9287     2.1617	H	1	noname	0.0644
22	H6    -1.5746    -1.3201    -0.2232	H	1	noname	0.0673
23	H7    -3.2606     2.4768     0.5027	H	1	noname	0.0650
24	H8    -2.7888    -0.9260    -2.3440	H	1	noname	0.0535
25	H9    -3.8127    -1.6760    -1.0910	H	1	noname	0.0535
26	H10    -4.5477    -0.7000    -2.3761	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	17	1
5	3	5	2
6	3	18	1
7	4	6	1
8	4	5	1
9	5	19	1
10	6	7	1
11	6	8	1
12	7	9	2
13	7	10	1
14	8	11	2
15	8	20	1
16	9	12	1
17	9	11	1
18	10	13	2
19	10	21	1
20	12	14	2
21	12	22	1
22	13	14	1
23	13	23	1
24	14	15	1
25	15	16	1
26	16	24	1
27	16	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1