@<TRIPOS>MOLECULE
DB03544
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.4450    -0.2090     0.9725	S.3	1	noname	0.0400
2	P1     2.5989    -1.5149     0.1664	P	1	noname	0.0052
3	C1     0.0546     0.1203    -0.1221	C.3	1	noname	0.0319
4	O1     3.7112    -1.7783     1.0421	O.2	1	noname	-0.2223
5	O2     3.1209    -0.9777    -1.1792	O.3	1	noname	-0.1857
6	O3     1.8127    -2.8176    -0.0711	O.3	1	noname	-0.1857
7	C2    -0.8649     1.1609     0.5203	C.3	1	noname	0.1012
8	N1    -1.9942     1.4284    -0.3688	N.3	1	noname	-0.3187
9	C3    -0.1196     2.3960     0.7454	C.2	1	noname	0.1441
10	O4     0.0057     2.8480     1.9041	O.2	1	noname	-0.2493
11	O5     0.4343     3.0499    -0.2977	O.3	1	noname	-0.2138
12	H1     0.4130     0.6107    -1.0272	H	1	noname	0.0410
13	H2    -0.5691    -0.7706    -0.1954	H	1	noname	0.0410
14	H3     3.3435    -1.7144    -1.7531	H	1	noname	0.2268
15	H4     1.5773    -3.2078     0.7738	H	1	noname	0.2268
16	H5    -1.2577     0.8219     1.4788	H	1	noname	0.0580
17	H6    -2.1827     2.3720    -0.6759	H	1	noname	0.1192
18	H7    -2.5859     0.6697    -0.6759	H	1	noname	0.1192
19	H8     0.7712     2.4130    -0.9322	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	2	6	1
6	3	7	1
7	7	8	1
8	7	9	1
9	9	10	2
10	9	11	1
11	3	12	1
12	3	13	1
13	5	14	1
14	6	15	1
15	7	16	1
16	8	17	1
17	8	18	1
18	11	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1