@<TRIPOS>MOLECULE
DB04422
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.6698    -3.0981    -2.4547	S.3	1	noname	-0.1792
2	C1    -0.8577    -1.8635    -1.1584	C.3	1	noname	-0.0077
3	C2     0.3987    -0.9925    -1.0975	C.3	1	noname	-0.0195
4	C3     0.2389     0.0569     0.0043	C.3	1	noname	0.0920
5	N1    -0.9222     0.8962    -0.2868	N.3	1	noname	-0.3194
6	C4     1.4379     0.8880     0.0624	C.2	1	noname	0.1437
7	O1     2.1145     0.9365     1.1122	O.2	1	noname	-0.2496
8	O2     1.8157     1.6042    -1.0178	O.3	1	noname	-0.2140
9	H1    -0.7463    -4.3055    -1.9268	H	1	noname	0.1021
10	H2    -1.6477    -1.1648    -1.4339	H	1	noname	0.0378
11	H3    -0.8814    -2.3573    -0.1870	H	1	noname	0.0378
12	H4     1.2187    -1.6438    -0.7952	H	1	noname	0.0296
13	H5     0.4524    -0.4513    -2.0422	H	1	noname	0.0296
14	H6     0.0939    -0.3988     0.9838	H	1	noname	0.0571
15	H7    -0.8109     1.8950    -0.3873	H	1	noname	0.1191
16	H8    -1.8357     0.4772    -0.3873	H	1	noname	0.1191
17	H9     2.0638     1.0068    -1.7271	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	4	6	1
6	6	7	2
7	6	8	1
8	1	9	1
9	2	10	1
10	2	11	1
11	3	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	8	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1