@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4279
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     6.6102    -6.6102    -3.0532	N.1	1	noname	-0.1841
2	C1     6.7842    -6.0392    -2.0722	C.1	1	noname	0.0599
3	C2     6.9812    -5.3933    -0.9612	C.2	1	noname	-0.0018
4	C3     6.5711    -5.9502     0.2667	C.2	1	noname	-0.0130
5	C4     7.6081    -4.1303    -0.9762	C.2	1	noname	-0.0130
6	C5     6.7841    -5.2512     1.4667	C.2	1	noname	-0.0321
7	C6     7.8211    -3.4323     0.2247	C.2	1	noname	-0.0321
8	C7     7.4070    -3.9872     1.4517	C.2	1	noname	-0.0312
9	C8     7.6240    -3.3062     2.6317	C.2	1	noname	0.0187
10	C9     6.7660    -2.4312     3.1897	C.2	1	noname	0.0747
11	C10     5.6360    -2.1242     2.6878	C.1	1	noname	0.0931
12	C11     7.0659    -1.8562     4.2816	C.1	1	noname	0.0931
13	N2     4.6180    -1.8512     2.2308	N.1	1	noname	-0.1751
14	N3     7.3429    -1.3402     5.2696	N.1	1	noname	-0.1751
15	H1     6.1151    -6.8651     0.2987	H	1	noname	0.0636
16	H2     7.9141    -3.7092    -1.8561	H	1	noname	0.0636
17	H3     6.4841    -5.6661     2.3507	H	1	noname	0.0629
18	H4     8.2770    -2.5193     0.2008	H	1	noname	0.0629
19	H5     8.4899    -3.4932     3.0857	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	3
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	4	15	1
7	5	7	2
8	5	16	1
9	6	8	2
10	6	17	1
11	7	8	1
12	7	18	1
13	8	9	1
14	9	10	2
15	9	19	1
16	10	11	1
17	10	12	1
18	11	13	3
19	12	14	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1