@<TRIPOS>MOLECULE
DB03972
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.8543    -1.1469    -1.0397	S.3	1	noname	-0.0781
2	C1     1.3276     0.5798    -1.4000	C.3	1	noname	0.1623
3	C2     0.3225    -2.0731    -0.6374	C.3	1	noname	0.1310
4	O1    -0.0856     0.7991    -1.1783	O.3	1	noname	-0.2516
5	N1     1.6802     0.9261    -2.7798	N.3	1	noname	-0.2968
6	O2     0.0336    -1.9391     0.7488	O.3	1	noname	-0.3776
7	C3    -0.8113    -1.5585    -1.4154	C.2	1	noname	-0.0057
8	C4    -0.9677    -0.1431    -1.6462	C.2	1	noname	0.0168
9	C5    -1.7599    -2.4890    -1.9216	C.2	1	noname	-0.0355
10	C6    -2.0999     0.3430    -2.3631	C.2	1	noname	-0.0238
11	C7    -2.8826    -1.9900    -2.6512	C.2	1	noname	-0.0666
12	C8    -3.0540    -0.5893    -2.8681	C.2	1	noname	-0.0501
13	H1     1.7138     1.4198    -0.8226	H	1	noname	0.0906
14	H2     0.2477    -3.1514    -0.7782	H	1	noname	0.0774
15	H3     0.9543     1.0454    -3.4718	H	1	noname	0.1217
16	H4     2.6492     1.0454    -3.0387	H	1	noname	0.1217
17	H5    -0.0487    -2.8100     1.1442	H	1	noname	0.2120
18	H6    -1.6297    -3.5582    -1.7545	H	1	noname	0.0627
19	H7    -2.2343     1.4128    -2.5231	H	1	noname	0.0650
20	H8    -3.6193    -2.6883    -3.0483	H	1	noname	0.0622
21	H9    -3.9200    -0.2290    -3.4233	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	7	9	1
9	7	8	2
10	8	10	1
11	9	11	2
12	10	12	2
13	11	12	1
14	2	13	1
15	3	14	1
16	5	15	1
17	5	16	1
18	6	17	1
19	9	18	1
20	10	19	1
21	11	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1