@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4275
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.5191    -5.4599    -2.2871	S.3	1	noname	-0.1213
2	C1     6.9190    -4.6888    -0.7860	C.2	1	noname	-0.0238
3	C2     5.6580    -4.1058    -3.1040	C.3	1	noname	-0.0136
4	C3     6.5049    -5.2818     0.4139	C.2	1	noname	-0.0357
5	C4     7.6380    -3.4768    -0.7550	C.2	1	noname	-0.0357
6	C5     6.8039    -4.6677     1.6420	C.2	1	noname	-0.0386
7	C6     7.8949    -2.8387     0.4720	C.2	1	noname	-0.0386
8	C7     7.5299    -3.4526     1.6911	C.2	1	noname	-0.0418
9	C8     7.9619    -2.8586     2.9061	C.2	1	noname	0.0169
10	C9     8.4628    -3.5685     4.0072	C.2	1	noname	0.0746
11	C10     8.8008    -4.8255     3.9513	C.1	1	noname	0.0931
12	C11     8.7678    -2.9555     5.0913	C.1	1	noname	0.0931
13	N1     9.0868    -5.9365     3.8643	N.1	1	noname	-0.1751
14	N2     9.0487    -2.4304     6.0683	N.1	1	noname	-0.1751
15	H1     5.2809    -4.4448    -4.0650	H	1	noname	0.0347
16	H2     4.8249    -3.7758    -2.4820	H	1	noname	0.0347
17	H3     6.3470    -3.2778    -3.2550	H	1	noname	0.0347
18	H4     5.9949    -6.1598     0.3880	H	1	noname	0.0634
19	H5     7.9779    -3.0597    -1.6299	H	1	noname	0.0634
20	H6     6.4548    -5.1047     2.4981	H	1	noname	0.0629
21	H7     8.4129    -1.9596     0.4611	H	1	noname	0.0629
22	H8     8.0588    -1.8405     2.9292	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	15	1
6	3	16	1
7	3	17	1
8	4	6	1
9	4	18	1
10	5	7	2
11	5	19	1
12	6	8	2
13	6	20	1
14	7	8	1
15	7	21	1
16	8	9	1
17	9	10	2
18	9	22	1
19	10	11	1
20	10	12	1
21	11	13	3
22	12	14	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1