@<TRIPOS>MOLECULE
DB00855
18 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4869    -0.9812     2.6291	O.2	1	noname	-0.2558
2	C1     1.4863    -0.9229     1.8822	C.2	1	noname	0.1350
3	O2     0.6865    -2.0011     1.7398	O.3	1	noname	-0.2188
4	C2     1.1825     0.3113     1.1638	C.3	1	noname	0.0404
5	C3    -0.0837     0.1161     0.3274	C.3	1	noname	0.0167
6	C4    -0.3875     1.3504    -0.3909	C.2	1	noname	0.1428
7	O3    -1.3881     1.4087    -1.1378	O.2	1	noname	-0.2942
8	C5     0.4774     2.5164    -0.2369	C.3	1	noname	0.0521
9	N1    -0.2997     3.6321     0.3004	N.3	1	noname	-0.3240
10	H1     0.4401    -2.3334     2.6061	H	1	noname	0.2213
11	H2     0.9606     1.0561     1.9281	H	1	noname	0.0377
12	H3     2.0117     0.4685     0.4741	H	1	noname	0.0377
13	H4     0.1382    -0.6287    -0.4368	H	1	noname	0.0352
14	H5    -0.9129    -0.0411     1.0172	H	1	noname	0.0352
15	H6     1.2212     2.2586     0.5170	H	1	noname	0.0507
16	H7     0.7947     2.8068    -1.2385	H	1	noname	0.0507
17	H8     0.1495     4.5175     0.4859	H	1	noname	0.1188
18	H9    -1.2859     3.5176     0.4859	H	1	noname	0.1188
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	2
7	6	8	1
8	8	9	1
9	3	10	1
10	4	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	8	15	1
15	8	16	1
16	9	17	1
17	9	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1