@<TRIPOS>MOLECULE
DB02235
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4551    -1.2155     0.2878	S.2	1	noname	0.1474
2	O1     3.4476    -1.7521    -0.8325	O.2	1	noname	-0.3176
3	C1     1.2857    -0.0623    -0.4489	C.3	1	noname	0.0077
4	C2     1.5590    -2.6001     1.0088	C.3	1	noname	-0.0057
5	C3     0.3307     0.4541     0.6291	C.3	1	noname	-0.0215
6	C4    -0.6632     1.4343     0.0029	C.3	1	noname	0.0917
7	N1    -1.5758     1.9277     1.0330	N.3	1	noname	-0.3194
8	C5    -1.4272     0.7537    -1.0386	C.2	1	noname	0.1437
9	O2    -1.3830     1.1672    -2.2174	O.2	1	noname	-0.2496
10	O3    -2.1815    -0.3221    -0.7286	O.3	1	noname	-0.2140
11	H1     1.8156     0.8311    -0.7792	H	1	noname	0.0347
12	H2     0.6351    -0.5971    -1.1408	H	1	noname	0.0347
13	H3     1.6018    -2.5340     2.0960	H	1	noname	0.0310
14	H4     0.5192    -2.5688     0.6836	H	1	noname	0.0310
15	H5     2.0135    -3.5359     0.6836	H	1	noname	0.0310
16	H6    -0.2475    -0.4031     0.9741	H	1	noname	0.0292
17	H7     0.9330     1.0251     1.3357	H	1	noname	0.0292
18	H8    -0.1623     2.2908    -0.4483	H	1	noname	0.0571
19	H9    -1.4749     2.8676     1.3888	H	1	noname	0.1191
20	H10    -2.3070     1.3288     1.3888	H	1	noname	0.1191
21	H11    -2.2410    -0.4069     0.2258	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	3	5	1
5	5	6	1
6	6	7	1
7	6	8	1
8	8	9	2
9	8	10	1
10	3	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	10	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1