@<TRIPOS>MOLECULE
DB02167
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6192    -1.3071     0.9116	O.2	1	noname	-0.2496
2	C1     1.4038    -0.2205     0.3325	C.2	1	noname	0.1437
3	O2     2.3714     0.7193     0.2791	O.3	1	noname	-0.2140
4	C2     0.0435     0.0443    -0.3158	C.3	1	noname	0.0929
5	N1    -0.5704     1.2187     0.3018	N.3	1	noname	-0.2978
6	C3     0.2238     0.2841    -1.7447	C.3	1	noname	-0.0399
7	C4    -0.7510     0.9785     1.7326	C.3	1	noname	-0.0128
8	C5    -1.8702     1.4717    -0.3177	C.3	1	noname	-0.0128
9	H1     2.6264     0.9671     1.1709	H	1	noname	0.2213
10	H2    -0.6366    -0.7991    -0.1963	H	1	noname	0.0572
11	H3     0.2898    -0.6699    -2.2677	H	1	noname	0.0252
12	H4    -0.6249     0.8506    -2.1279	H	1	noname	0.0252
13	H5     1.1411     0.8506    -1.9051	H	1	noname	0.0252
14	H6    -0.7747    -0.0948     1.9207	H	1	noname	0.0394
15	H7     0.0766     1.4257     2.2833	H	1	noname	0.0394
16	H8    -1.6894     1.4257     2.0605	H	1	noname	0.0394
17	H9    -2.6207     1.6178     0.4591	H	1	noname	0.0394
18	H10    -1.8095     2.3666    -0.9371	H	1	noname	0.0394
19	H11    -2.1496     0.6194    -0.9371	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	5	8	1
8	3	9	1
9	4	10	1
10	6	11	1
11	6	12	1
12	6	13	1
13	7	14	1
14	7	15	1
15	7	16	1
16	8	17	1
17	8	18	1
18	8	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
