@<TRIPOS>MOLECULE
DB06147
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.4087    -1.3984    -0.0163	S	1	noname	-0.0931
2	O1     1.0858    -1.3108     0.5970	O.2	1	noname	-0.1940
3	O2    -0.8909    -2.9273    -0.0467	O.2	1	noname	-0.1940
4	N1    -1.3931    -0.4737     1.0319	N.3	1	noname	0.1248
5	C1    -0.4522    -0.6416    -1.6087	C.2	1	noname	-0.0163
6	C2    -1.5487    -0.8558     2.3165	C.2	1	noname	0.1022
7	C3    -0.7652     0.7532    -1.7327	C.2	1	noname	0.0116
8	C4    -0.1599    -1.4540    -2.7489	C.2	1	noname	0.0116
9	S2    -2.3649    -0.0355     3.6286	S.3	1	noname	-0.1788
10	N2    -1.0951    -1.9818     2.9078	N.2	1	noname	-0.2129
11	C5    -0.7787     1.3549    -3.0322	C.2	1	noname	-0.0446
12	C6    -0.1704    -0.8577    -4.0490	C.2	1	noname	-0.0446
13	C7    -2.1962    -1.2590     4.8913	C.2	1	noname	0.0337
14	C8    -1.3998    -2.1972     4.2239	C.2	1	noname	0.0311
15	C9    -0.4770     0.5358    -4.1687	C.2	1	noname	-0.0034
16	N3    -0.4821     1.0938    -5.3869	N.3	1	noname	-0.1510
17	H1    -1.9279     0.3694     0.8794	H	1	noname	0.1530
18	H2    -0.9906     1.3497    -0.8487	H	1	noname	0.0639
19	H3     0.0678    -2.5131    -2.6286	H	1	noname	0.0639
20	H4    -1.0132     2.4125    -3.1534	H	1	noname	0.0639
21	H5     0.0515    -1.4549    -4.9334	H	1	noname	0.0639
22	H6    -2.5300    -1.4108     5.9178	H	1	noname	0.0756
23	H7    -1.0201    -3.0878     4.7248	H	1	noname	0.0848
24	H8    -1.3588     1.3041    -5.8424	H	1	noname	0.1242
25	H9     0.3906     1.3041    -5.8497	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	6	10	2
10	7	11	1
11	8	12	2
12	9	13	1
13	10	14	1
14	11	15	2
15	12	15	1
16	13	14	2
17	15	16	1
18	4	17	1
19	7	18	1
20	8	19	1
21	11	20	1
22	12	21	1
23	13	22	1
24	14	23	1
25	16	24	1
26	16	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1