@<TRIPOS>MOLECULE
90473203
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7911     1.1665     0.1769	O.3	1	noname	0.0000
2	O2     0.3004     1.8562    -0.2948	O.2	1	noname	0.0000
3	N1     1.5645    -0.2287     0.5768	N.3	1	noname	0.0000
4	C1     0.1080    -0.2636     0.6994	C.3	1	noname	0.0000
5	C2     2.1282    -1.4683     1.1089	C.3	1	noname	0.0000
6	C3     1.9318    -0.0913    -0.8316	C.3	1	noname	0.0000
7	C4     2.0898     0.9085     1.3307	C.3	1	noname	0.0000
8	C5    -0.4549     0.9743     0.1681	C.2	1	noname	0.0000
9	H1    -0.2836    -1.1114     0.1374	H	1	noname	0.0000
10	H2    -0.1658    -0.3660     1.7495	H	1	noname	0.0000
11	H3     3.2140    -1.4422     1.0175	H	1	noname	0.0000
12	H4     1.7365    -2.3161     0.5468	H	1	noname	0.0000
13	H5     1.8543    -1.5707     2.1589	H	1	noname	0.0000
14	H6     3.0177    -0.0653    -0.9230	H	1	noname	0.0000
15	H7     1.5116     0.8329    -1.2282	H	1	noname	0.0000
16	H8     1.5402    -0.9391    -1.3936	H	1	noname	0.0000
17	H9     3.1757     0.9346     1.2393	H	1	noname	0.0000
18	H10     1.6696     1.8327     0.9340	H	1	noname	0.0000
19	H11     1.8160     0.8061     2.3807	H	1	noname	0.0000
20	H12    -2.2114     1.7178    -0.5158	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	8	1
2	1	20	1
3	2	8	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	7	1
8	4	8	1
9	4	9	1
10	4	10	1
11	5	11	1
12	5	12	1
13	5	13	1
14	6	14	1
15	6	15	1
16	6	16	1
17	7	17	1
18	7	18	1
19	7	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1