@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3797
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2145     1.3892     1.2154	O.3	1	noname	-0.2816
2	C1     2.8005     2.2242     0.2345	C.2	1	noname	-0.0016
3	C2     1.5254     2.0663    -0.3624	C.2	1	noname	0.0016
4	C3     3.6545     3.2673    -0.1654	C.2	1	noname	-0.0336
5	N1     0.6853     1.0473     0.0056	N.3	1	noname	-0.0163
6	C4     1.1404     2.9783    -1.3714	C.2	1	noname	-0.0467
7	C5     3.2525     4.1654    -1.1664	C.2	1	noname	-0.0765
8	C6    -0.6386     1.0983     0.2626	C.2	1	noname	-0.0469
9	C7     1.0403    -0.2487     0.1686	C.2	1	noname	-0.0315
10	C8     1.9933     4.0204    -1.7694	C.2	1	noname	-0.0733
11	C9    -1.0557    -0.1946     0.5716	C.2	1	noname	0.0114
12	C10    -1.5577     2.1654     0.2856	C.2	1	noname	-0.0303
13	N2    -0.0067    -1.0226     0.5087	N.2	1	noname	-0.2286
14	C11    -2.3928    -0.4796     0.8907	C.2	1	noname	-0.0105
15	C12    -2.9038     1.8964     0.6047	C.2	1	noname	-0.0469
16	C13    -3.3189     0.5814     0.9037	C.2	1	noname	-0.0439
17	H1     4.1035     1.5892     1.5755	H	1	noname	0.2182
18	H2     4.5695     3.3753     0.2725	H	1	noname	0.0650
19	H3     0.2353     2.8774    -1.8314	H	1	noname	0.0643
20	H4     3.8735     4.9214    -1.4554	H	1	noname	0.0623
21	H5     1.9863    -0.6096     0.0386	H	1	noname	0.1019
22	H6     1.6993     4.6695    -2.5003	H	1	noname	0.0623
23	H7    -1.2597     3.1195     0.0807	H	1	noname	0.0643
24	H8    -2.6848    -1.4315     1.1117	H	1	noname	0.0645
25	H9    -3.5818     2.6585     0.6227	H	1	noname	0.0623
26	H10    -4.2959     0.3984     1.1338	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	1	17	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	6	1
7	4	7	2
8	4	18	1
9	5	8	1
10	5	9	1
11	6	10	2
12	6	19	1
13	7	10	1
14	7	20	1
15	8	11	2
16	8	12	1
17	9	13	2
18	9	21	1
19	10	22	1
20	11	14	1
21	11	13	1
22	12	15	2
23	12	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