@<TRIPOS>MOLECULE
DB02413
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7996     0.2704    -0.1160	S.3	1	noname	-0.1573
2	C1     0.0169     0.0694     0.0311	C.3	1	noname	0.0182
3	C2     2.5922    -1.3447    -0.0586	C.3	1	noname	0.0167
4	C3    -0.6568     1.4422    -0.0177	C.3	1	noname	0.1004
5	C4     4.1075    -1.1739    -0.1835	C.3	1	noname	0.0522
6	N1    -2.1048     1.2789     0.1017	N.3	1	noname	-0.3187
7	C5    -0.3435     2.0933    -1.2864	C.2	1	noname	0.1441
8	O1     4.7328    -2.4480    -0.1383	O.3	1	noname	-0.3954
9	O2     0.2579     3.1891    -1.2947	O.2	1	noname	-0.2494
10	O3    -0.7032     1.5119    -2.4504	O.3	1	noname	-0.2138
11	H1    -0.3652    -0.4415    -0.8527	H	1	noname	0.0401
12	H2    -0.2256    -0.3062     1.0252	H	1	noname	0.0401
13	H3     2.4585    -1.7800     0.9317	H	1	noname	0.0404
14	H4     2.3189    -1.9153    -0.9462	H	1	noname	0.0404
15	H5    -0.3187     2.0915     0.7898	H	1	noname	0.0580
16	H6     4.3221    -0.7798    -1.1769	H	1	noname	0.0572
17	H7     4.4617    -0.6445     0.7010	H	1	noname	0.0572
18	H8    -2.7029     2.0917     0.1429	H	1	noname	0.1192
19	H9    -2.5069     0.3534     0.1429	H	1	noname	0.1192
20	H10     4.8610    -2.7092     0.7766	H	1	noname	0.2100
21	H11    -0.6734     0.5572    -2.3539	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	7	9	2
9	7	10	1
10	2	11	1
11	2	12	1
12	3	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	8	20	1
20	10	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1