@<TRIPOS>MOLECULE
DB03746
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2484     0.5949     2.0040	O.2	1	noname	-0.4666
2	C1    -1.2222     0.6236     0.7547	C.2	1	noname	-0.0466
3	O2    -2.3754     0.6980     0.0568	O.3	1	noname	-0.4666
4	C2    -0.0318     0.5800     0.0983	C.2	1	noname	-0.0589
5	C3     0.9796    -0.0831     0.6904	C.2	1	noname	-0.0591
6	C4     0.0503     1.2591    -1.1997	C.3	1	noname	-0.0038
7	C5     2.3140    -0.2410     0.1162	C.3	1	noname	0.0514
8	C6     1.3193     0.8795    -2.0241	C.3	1	noname	0.0852
9	N1     3.3208     0.0546     1.1343	N.3	1	noname	-0.3222
10	C7     2.5874     0.6273    -1.1543	C.3	1	noname	0.0989
11	O3     1.5910     1.9013    -2.9720	O.3	1	noname	-0.3899
12	O4     3.5885     0.0053    -1.9463	O.3	1	noname	-0.3883
13	H1     0.7112    -0.5030     1.6597	H	1	noname	0.0589
14	H2    -0.8131     0.8959    -1.7572	H	1	noname	0.0336
15	H3     0.1342     2.3176    -0.9535	H	1	noname	0.0336
16	H4     2.3575    -1.2992    -0.1414	H	1	noname	0.0535
17	H5     1.1079    -0.0173    -2.6064	H	1	noname	0.0631
18	H6     3.9149    -0.6826     1.4860	H	1	noname	0.1190
19	H7     3.4221     0.9960     1.4860	H	1	noname	0.1190
20	H8     3.0063     1.5869    -0.8511	H	1	noname	0.0647
21	H9     1.8076     2.7155    -2.5117	H	1	noname	0.2105
22	H10     4.2429    -0.4014    -1.3736	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	10	1
12	10	12	1
13	5	13	1
14	6	14	1
15	6	15	1
16	7	16	1
17	8	17	1
18	9	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1