@<TRIPOS>MOLECULE
57349133
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8113     2.6119     0.9540	S.3	1	noname	-0.1770
2	O1     0.1206    -2.0965    -0.9479	O.3	1	noname	-0.2137
3	O2    -1.1536    -0.6257    -2.0817	O.2	1	noname	-0.2492
4	N1     1.1291     0.4745     0.1821	N.3	1	noname	-0.2969
5	C1    -0.2911     0.1635     0.0276	C.3	1	noname	0.1046
6	C2    -1.0177     1.3759    -0.3381	C.3	1	noname	0.0155
7	C3     1.8568    -0.7396     0.5483	C.3	1	noname	-0.0128
8	C4     1.6539     0.9955    -1.0790	C.3	1	noname	-0.0128
9	C5    -0.4665    -0.8871    -1.0707	C.2	1	noname	0.1443
10	H1    -0.6823    -0.2249     0.9679	H	1	noname	0.0584
11	H2    -2.0765     1.1441    -0.4533	H	1	noname	0.0399
12	H3    -0.6264     1.7643    -1.2784	H	1	noname	0.0399
13	H4     2.9156    -0.5078     0.6635	H	1	noname	0.0394
14	H5     1.4655    -1.1280     1.4886	H	1	noname	0.0394
15	H6     1.7317    -1.4881    -0.2341	H	1	noname	0.0394
16	H7     2.7128     1.2273    -0.9638	H	1	noname	0.0394
17	H8     1.1114     1.9006    -1.3521	H	1	noname	0.0394
18	H9     1.5289     0.2470    -1.8615	H	1	noname	0.0394
19	H10    -1.4881     3.7413     0.6134	H	1	noname	0.1022
20	H11     0.3976    -2.5903    -1.7479	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	6	1
2	1	19	1
3	2	9	1
4	2	20	1
5	3	9	2
6	5	4	1
7	4	7	1
8	4	8	1
9	5	6	1
10	5	9	1
11	5	10	1
12	6	11	1
13	6	12	1
14	7	13	1
15	7	14	1
16	7	15	1
17	8	16	1
18	8	17	1
19	8	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1