@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440377
17 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     7.5999   -12.1969     1.5512	O.3	1	noname	-0.3309
2	C1     8.7309   -11.4878     1.3322	C.2	1	noname	0.0949
3	C2     6.6888   -11.3338     2.0532	C.2	1	noname	0.0860
4	C3     9.9329   -12.0188     0.8062	C.2	1	noname	-0.0051
5	C4     8.4588   -10.1767     1.7203	C.2	1	noname	0.0591
6	N1     7.1968   -10.0967     2.1633	N.2	1	noname	-0.1934
7	C5     9.9999   -13.3878     0.4712	C.2	1	noname	0.0084
8	C6    11.0799   -11.2187     0.6042	C.2	1	noname	0.0084
9	C7    11.1889   -13.9208    -0.0506	C.2	1	noname	0.0076
10	C8    12.2469   -11.7967     0.0802	C.2	1	noname	0.0076
11	N2    12.2649   -13.1157    -0.2276	N.2	1	noname	-0.2388
12	H1     5.7357   -11.5898     2.3153	H	1	noname	0.1124
13	H2     9.1108    -9.3927     1.6793	H	1	noname	0.0868
14	H3     9.1938   -14.0018     0.6013	H	1	noname	0.0646
15	H4    11.0788   -10.2237     0.8323	H	1	noname	0.0646
16	H5    11.2448   -14.9098    -0.2956	H	1	noname	0.0839
17	H6    13.0799   -11.2256    -0.0686	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	12	1
7	4	7	2
8	4	8	1
9	5	6	1
10	5	13	1
11	7	9	1
12	7	14	1
13	8	10	2
14	8	15	1
15	9	11	2
16	9	16	1
17	10	11	1
18	10	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1