@<TRIPOS>MOLECULE
DB04197
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.7558    -2.3298     0.0000	O.3	1	noname	-0.3253
2	N1     3.3225    -1.1042     0.0000	N.3	1	noname	-0.0272
3	C1     2.0125    -1.1042     0.0000	C.2	1	noname	-0.1009
4	N2     1.3750     0.0000     0.0000	N.2	1	noname	-0.2498
5	N3     1.3575    -2.2387     0.0000	N.3	1	noname	-0.1222
6	C2     0.0000     0.0000     0.0000	C.3	1	noname	0.0480
7	C3    -0.5100     1.4425     0.0000	C.3	1	noname	0.0152
8	C4    -2.0400     1.4425     0.0000	C.3	1	noname	-0.0119
9	N4    -2.5273     2.8209     0.0000	N.4	1	noname	-0.0092
10	H1     3.8625    -2.6315     0.9051	H	1	noname	0.2380
11	H2     3.9101    -0.2827     0.0000	H	1	noname	0.1637
12	H3     0.3475    -2.2387     0.0000	H	1	noname	0.1268
13	H4     1.8625    -3.1134     0.0000	H	1	noname	0.1268
14	H5    -0.2803    -0.4674    -0.9440	H	1	noname	0.0518
15	H6    -0.2803    -0.4674     0.9440	H	1	noname	0.0518
16	H7    -0.1953     1.8875     0.9440	H	1	noname	0.0352
17	H8    -0.1953     1.8875    -0.9440	H	1	noname	0.0352
18	H9    -2.3688     1.0078    -0.9440	H	1	noname	0.0940
19	H10    -2.3688     1.0078     0.9440	H	1	noname	0.0940
20	H11    -2.6396     3.1383     0.9522	H	1	noname	0.2554
21	H12    -1.8621     3.4132    -0.4761	H	1	noname	0.2554
22	H13    -3.4171     2.8634    -0.4761	H	1	noname	0.2554
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	1	10	1
10	2	11	1
11	5	12	1
12	5	13	1
13	6	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1