@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4278
15 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.2642    -4.8522    -0.1641	O.3	1	noname	-0.3664
2	C1     5.4301    -3.5771     0.2718	C.2	1	noname	0.0503
3	C2     4.0131    -5.2522     0.1648	C.2	1	noname	0.0342
4	C3     4.2521    -3.1671     0.8919	C.2	1	noname	0.0061
5	C4     6.5651    -2.7970     0.1399	C.2	1	noname	0.0627
6	C5     3.3591    -4.2231     0.8249	C.2	1	noname	-0.0006
7	C6     7.7211    -3.1550    -0.4530	C.2	1	noname	0.0860
8	C7     7.9411    -4.2870    -0.9920	C.1	1	noname	0.0953
9	C8     8.6891    -2.3319    -0.5000	C.1	1	noname	0.0953
10	N1     8.1391    -5.3090    -1.4780	N.1	1	noname	-0.1748
11	N2     9.5601    -1.5849    -0.5389	N.1	1	noname	-0.1748
12	H1     3.6151    -6.1691    -0.0401	H	1	noname	0.0900
13	H2     4.0761    -2.2570     1.3189	H	1	noname	0.0651
14	H3     6.5041    -1.8810     0.5279	H	1	noname	0.0671
15	H4     2.4060    -4.2411     1.1889	H	1	noname	0.0644
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	12	1
7	4	6	1
8	4	13	1
9	5	7	2
10	5	14	1
11	6	15	1
12	7	8	1
13	7	9	1
14	8	10	3
15	9	11	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1