@<TRIPOS>MOLECULE
DB03425
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1444    -1.9987     0.9897	O.2	1	noname	-0.2496
2	C1     1.6564    -1.4137    -0.0013	C.2	1	noname	0.1437
3	O2     1.4329    -2.0953    -1.1450	O.3	1	noname	-0.2140
4	C2     1.3280     0.0067     0.0780	C.3	1	noname	0.0912
5	N1     2.0954     0.7411    -0.9265	N.3	1	noname	-0.3194
6	C3    -0.1675     0.1997    -0.1811	C.3	1	noname	-0.0261
7	C4    -0.5116     1.6881    -0.0980	C.3	1	noname	-0.0039
8	C5    -0.1633     2.2150     1.2956	C.2	1	noname	-0.0695
9	C6    -1.9386     1.8723    -0.3452	C.3	1	noname	-0.0628
10	O3     0.6688     3.1389     1.4245	O.2	1	noname	-0.4805
11	O4    -0.7546     1.6822     2.3859	O.3	1	noname	-0.4805
12	H1     1.4676    -3.0381    -0.9676	H	1	noname	0.2213
13	H2     1.6214     0.3684     1.0635	H	1	noname	0.0571
14	H3     2.9653     0.3629    -1.2735	H	1	noname	0.1191
15	H4     1.7557     1.6267    -1.2735	H	1	noname	0.1191
16	H5    -0.3508    -0.1087    -1.2104	H	1	noname	0.0287
17	H6    -0.6945    -0.2913     0.6370	H	1	noname	0.0287
18	H7     0.0194     2.2500    -0.8664	H	1	noname	0.0286
19	H8    -2.4664     1.9404     0.6060	H	1	noname	0.0230
20	H9    -2.0936     2.7897    -0.9132	H	1	noname	0.0230
21	H10    -2.3214     1.0243    -0.9132	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	7	9	1
9	8	10	2
10	8	11	1
11	3	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	7	18	1
18	9	19	1
19	9	20	1
20	9	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1