@<TRIPOS>MOLECULE
DB03197
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8840    -1.1530     0.3166	O.2	1	noname	-0.2748
2	C1     1.3047    -0.0531     0.1858	C.2	1	noname	0.0916
3	N1     2.0305     1.0984     0.0103	N.3	1	noname	0.0513
4	C2    -0.1074     0.0209     0.2165	C.2	1	noname	0.1163
5	C3     1.4635     2.3344    -0.1379	C.2	1	noname	-0.0737
6	N2    -0.9496    -1.0482     0.3919	N.2	1	noname	-0.1779
7	C4    -0.6822     1.3218     0.0599	C.2	1	noname	0.1245
8	N3     0.0983     2.4358    -0.1138	N.2	1	noname	-0.1798
9	N4     2.2278     3.4226    -0.3032	N.3	1	noname	-0.1230
10	C5    -2.3196    -0.9432     0.4383	C.2	1	noname	0.0562
11	N5    -2.0508     1.4035     0.1030	N.2	1	noname	-0.1841
12	C6    -2.8921     0.3402     0.2932	C.2	1	noname	0.0599
13	C7    -3.1578    -2.1228     0.6318	C.3	1	noname	0.0869
14	O2    -2.8317    -2.7374     1.8697	O.3	1	noname	-0.3899
15	H1     3.0381     1.0326    -0.0108	H	1	noname	0.1400
16	H2     3.2316     3.3300    -0.3655	H	1	noname	0.1268
17	H3     1.8000     4.3354    -0.3655	H	1	noname	0.1268
18	H4    -3.9686     0.5079     0.3276	H	1	noname	0.0860
19	H5    -4.1872    -1.7764     0.7241	H	1	noname	0.0631
20	H6    -2.8916    -2.8396    -0.1450	H	1	noname	0.0631
21	H7    -2.8580    -3.6918     1.7698	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	7	11	2
11	7	8	1
12	10	12	2
13	10	13	1
14	11	12	1
15	13	14	1
16	3	15	1
17	9	16	1
18	9	17	1
19	12	18	1
20	13	19	1
21	13	20	1
22	14	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1