@<TRIPOS>MOLECULE
DB03790
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.9090    -1.5807     0.5024	S	1	noname	0.0427
2	O1     3.4783    -1.5484     0.7565	O.2	1	noname	-0.1930
3	O2     1.6032    -2.4092    -0.8197	O.2	1	noname	-0.1930
4	C1     1.2975     0.1014     0.3114	C.3	1	noname	0.0589
5	C2     1.0904    -2.3613     1.9026	C.3	1	noname	0.0459
6	C3    -0.2125     0.0704     0.0668	C.3	1	noname	-0.0120
7	C4    -0.7324     1.5002    -0.0956	C.3	1	noname	0.0924
8	N1    -2.1753     1.4706    -0.3292	N.3	1	noname	-0.3194
9	C5    -0.0684     2.1334    -1.2312	C.2	1	noname	0.1437
10	O3     0.6109     3.1688    -1.0603	O.2	1	noname	-0.2496
11	O4    -0.1879     1.6007    -2.4659	O.3	1	noname	-0.2140
12	H1     1.3988     0.6344     1.2568	H	1	noname	0.0463
13	H2     1.7022     0.5334    -0.6039	H	1	noname	0.0463
14	H3     1.1501    -3.4449     1.8005	H	1	noname	0.0426
15	H4     1.5810    -2.0559     2.8268	H	1	noname	0.0426
16	H5     0.0444    -2.0559     1.9284	H	1	noname	0.0426
17	H6    -0.3663    -0.4307    -0.8888	H	1	noname	0.0301
18	H7    -0.6697    -0.3297     0.9718	H	1	noname	0.0301
19	H8    -0.5422     2.1065     0.7901	H	1	noname	0.0572
20	H9    -2.6916     2.3348    -0.4099	H	1	noname	0.1191
21	H10    -2.6557     0.5858    -0.4099	H	1	noname	0.1191
22	H11    -0.1818     0.6428    -2.4031	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	7	9	1
9	9	10	2
10	9	11	1
11	4	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1