@<TRIPOS>MOLECULE
DB02467
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.3471    -1.3506    -0.0537	S.2	1	noname	0.1474
2	O1     3.9198    -1.1611    -0.1912	O.2	1	noname	-0.3176
3	C1     1.5420     0.2584    -0.1066	C.3	1	noname	0.0077
4	C2     1.9745    -2.1569     1.5119	C.3	1	noname	-0.0057
5	C3     0.0287     0.0760     0.0257	C.3	1	noname	-0.0215
6	C4    -0.6557     1.4437    -0.0192	C.3	1	noname	0.0917
7	N1    -2.1017     1.2694     0.1072	N.3	1	noname	-0.3194
8	C5    -0.3535     2.0977    -1.2891	C.2	1	noname	0.1437
9	O2     0.2396     3.1980    -1.2999	O.2	1	noname	-0.2496
10	O3    -0.7145     1.5140    -2.4517	O.3	1	noname	-0.2140
11	H1     1.8153     0.8307     0.7799	H	1	noname	0.0347
12	H2     1.6676     0.6951    -1.0973	H	1	noname	0.0347
13	H3     2.0059    -3.2384     1.3801	H	1	noname	0.0310
14	H4     2.7118    -1.8602     2.2579	H	1	noname	0.0310
15	H5     0.9802    -1.8602     1.8458	H	1	noname	0.0310
16	H6    -0.3009    -0.4699    -0.8583	H	1	noname	0.0292
17	H7    -0.1532    -0.3343     1.0190	H	1	noname	0.0292
18	H8    -0.3185     2.0953     0.7869	H	1	noname	0.0571
19	H9    -2.7059     2.0777     0.1508	H	1	noname	0.1191
20	H10    -2.4966     0.3409     0.1508	H	1	noname	0.1191
21	H11    -0.6840     0.5595    -2.3535	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