@<TRIPOS>MOLECULE
DB04476
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9450    -1.2038     0.0000	O.2	1	noname	-0.2948
2	C1    -0.6950    -1.2038     0.0000	C.2	1	noname	0.0195
3	N1    -0.0250    -2.3642     0.0000	N.3	1	noname	-0.0859
4	C2     0.0000     0.0000     0.0000	C.2	1	noname	0.0198
5	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0574
6	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0255
7	O2     2.0650    -1.1691     0.0000	O.3	1	noname	-0.2683
8	C5     2.0850     1.2038     0.0000	C.2	1	noname	0.0342
9	C6    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0518
10	O3     3.4350     1.2038     0.0000	O.3	1	noname	-0.2751
11	C7     1.3900     2.4076     0.0000	C.2	1	noname	-0.0116
12	H1    -0.5300    -3.2389     0.0000	H	1	noname	0.1274
13	H2     0.9850    -2.3642     0.0000	H	1	noname	0.1274
14	H3    -1.7850     1.2038     0.0000	H	1	noname	0.0631
15	H4     2.2250    -1.4463     0.9051	H	1	noname	0.2183
16	H5    -0.5450     3.3515     0.0000	H	1	noname	0.0623
17	H6     3.7550     1.2038     0.9051	H	1	noname	0.2183
18	H7     1.9350     3.3515     0.0000	H	1	noname	0.0651
@<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	5	8	1
8	6	9	2
9	8	10	1
10	8	11	2
11	9	11	1
12	3	12	1
13	3	13	1
14	6	14	1
15	7	15	1
16	9	16	1
17	10	17	1
18	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1