@<TRIPOS>MOLECULE
DB04171
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3082    -0.8386    -1.9067	O.2	1	noname	-0.2485
2	C1     0.0907    -1.1166    -0.7552	C.2	1	noname	0.1452
3	O2     0.7114    -2.2925    -0.5214	O.3	1	noname	-0.2132
4	C2    -0.1146    -0.1697     0.3370	C.3	1	noname	0.0993
5	N1    -0.8030     1.0165    -0.1694	N.3	1	noname	-0.3171
6	C3     1.2399     0.2370     0.9208	C.3	1	noname	-0.0285
7	C4    -0.9639    -0.8255     1.4277	C.3	1	noname	-0.0374
8	C5     2.0892     0.8927    -0.1699	C.3	1	noname	-0.0631
9	H1     0.7853    -2.4326     0.4255	H	1	noname	0.2213
10	H2    -0.2842     1.8653    -0.3443	H	1	noname	0.1194
11	H3    -1.7973     0.9872    -0.3443	H	1	noname	0.1194
12	H4     1.0423     1.0040     1.6695	H	1	noname	0.0288
13	H5     1.7492    -0.6838     1.2052	H	1	noname	0.0288
14	H6    -0.8949    -1.9097     1.3391	H	1	noname	0.0254
15	H7    -0.5987    -0.5170     2.4072	H	1	noname	0.0254
16	H8    -2.0031    -0.5170     1.3136	H	1	noname	0.0254
17	H9     2.5615     0.1200    -0.7764	H	1	noname	0.0231
18	H10     1.4533     1.5127    -0.8019	H	1	noname	0.0231
19	H11     2.8578     1.5127     0.2917	H	1	noname	0.0231
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	4	7	1
7	6	8	1
8	3	9	1
9	5	10	1
10	5	11	1
11	6	12	1
12	6	13	1
13	7	14	1
14	7	15	1
15	7	16	1
16	8	17	1
17	8	18	1
18	8	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1