@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4282
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     4.8248    -3.0452     4.4009	N.1	1	noname	-0.1751
2	C1     5.8977    -2.7222     4.1999	C.1	1	noname	0.0931
3	C2     7.1247    -2.3472     3.9780	C.2	1	noname	0.0747
4	C3     7.6066    -1.4571     4.7990	C.1	1	noname	0.0931
5	C4     7.8547    -2.7481     2.8520	C.2	1	noname	0.0183
6	N2     8.0186    -0.6731     5.5311	N.1	1	noname	-0.1751
7	C5     7.4556    -3.7771     1.9690	C.2	1	noname	-0.0350
8	C6     7.6585    -3.5770     0.5791	C.2	1	noname	-0.0261
9	C7     6.8456    -4.9851     2.4121	C.2	1	noname	-0.0356
10	C8     7.1405    -4.5180    -0.3278	C.2	1	noname	-0.0324
11	C9     6.3725    -5.9400     1.4861	C.2	1	noname	-0.0398
12	C10     6.5134    -5.6770     0.1172	C.2	1	noname	-0.0862
13	C11     7.0815    -4.5400    -1.7167	C.2	1	noname	-0.0361
14	N3     6.1084    -6.3919    -0.9447	N.3	1	noname	-0.0773
15	C12     6.4364    -5.7239    -2.0667	C.2	1	noname	-0.1114
16	H1     8.6596    -2.1651     2.5890	H	1	noname	0.0650
17	H2     8.1155    -2.7350     0.2221	H	1	noname	0.0635
18	H3     6.7565    -5.1940     3.4041	H	1	noname	0.0629
19	H4     5.9155    -6.7960     1.8002	H	1	noname	0.0642
20	H5     7.4184    -3.8260    -2.3597	H	1	noname	0.0642
21	H6     5.6404    -7.2419    -0.9117	H	1	noname	0.1522
22	H7     6.2293    -6.0349    -3.0217	H	1	noname	0.0789
@<TRIPOS>BOND
1	1	2	3
2	2	3	1
3	3	4	1
4	3	5	2
5	4	6	3
6	5	7	1
7	5	16	1
8	7	8	2
9	7	9	1
10	8	10	1
11	8	17	1
12	9	11	2
13	9	18	1
14	10	12	2
15	10	13	1
16	11	12	1
17	11	19	1
18	12	14	1
19	13	15	2
20	13	20	1
21	14	15	1
22	14	21	1
23	15	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1