@<TRIPOS>MOLECULE
DB00992
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8118    -0.9329     2.6299	O.2	1	noname	-0.2543
2	C1     1.1368    -0.4813     1.6796	C.2	1	noname	0.1392
3	O2     0.0184    -1.1237     1.2809	O.3	1	noname	-0.2095
4	C2     1.5579     0.7409     1.0010	C.3	1	noname	0.0406
5	C3    -0.7477    -1.8644     2.2194	C.3	1	noname	0.0453
6	C4     0.5653     1.0724    -0.1152	C.3	1	noname	0.0167
7	C5     0.9864     2.2946    -0.7938	C.2	1	noname	0.1428
8	O3     0.3114     2.7461    -1.7440	O.2	1	noname	-0.2942
9	C6     2.1960     2.9893    -0.3626	C.3	1	noname	0.0521
10	N1     1.8540     4.3462     0.0606	N.3	1	noname	-0.3240
11	H1     1.4934     1.5345     1.7453	H	1	noname	0.0377
12	H2     2.5146     0.5093     0.5327	H	1	noname	0.0377
13	H3    -0.4555    -1.5819     3.2307	H	1	noname	0.0536
14	H4    -1.8065    -1.6503     2.0739	H	1	noname	0.0536
15	H5    -0.5692    -2.9298     2.0739	H	1	noname	0.0536
16	H6     0.6298     0.2787    -0.8595	H	1	noname	0.0352
17	H7    -0.3913     1.3040     0.3531	H	1	noname	0.0352
18	H8     2.5607     2.4660     0.5213	H	1	noname	0.0507
19	H9     2.8338     3.0846    -1.2413	H	1	noname	0.0507
20	H10     2.5840     5.0287     0.2068	H	1	noname	0.1188
21	H11     0.8877     4.6012     0.2068	H	1	noname	0.1188
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	9	10	1
10	4	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	9	18	1
18	9	19	1
19	10	20	1
20	10	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1