@<TRIPOS>MOLECULE
90479028
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7314     1.3603     0.1014	O.3	1	noname	-0.3949
2	N1     1.6132    -0.1861     0.0102	N.3	1	noname	-0.3015
3	C1     0.4522     0.5399    -0.5021	C.3	1	noname	0.0215
4	C2     2.6223    -0.2963    -1.0420	C.3	1	noname	-0.0046
5	C3     1.2033    -1.5239     0.4342	C.3	1	noname	-0.0046
6	C4    -0.6038     0.6551     0.5990	C.3	1	noname	0.0559
7	C5     3.0513     1.1037    -1.4857	C.3	1	noname	-0.0524
8	C6     2.4183    -2.2837     0.9703	C.3	1	noname	-0.0524
9	H1     0.0333     0.0016    -1.3524	H	1	noname	0.0454
10	H2     0.7579     1.5372    -0.8182	H	1	noname	0.0454
11	H3     0.4509    -1.4418     1.2187	H	1	noname	0.0427
12	H4     0.7844    -2.0621    -0.4160	H	1	noname	0.0427
13	H5     2.2034    -0.8345    -1.8923	H	1	noname	0.0427
14	H6     3.4879    -0.8376    -0.6600	H	1	noname	0.0427
15	H7    -0.9094    -0.3422     0.9151	H	1	noname	0.0576
16	H8    -0.1849     1.1933     1.4493	H	1	noname	0.0576
17	H9     2.1126    -3.2810     1.2865	H	1	noname	0.0243
18	H10     2.8372    -1.7454     1.8206	H	1	noname	0.0243
19	H11     3.8036     1.0216    -2.2702	H	1	noname	0.0243
20	H12     2.1857     1.6450    -1.8677	H	1	noname	0.0243
21	H13     3.4702     1.6419    -0.6355	H	1	noname	0.0243
22	H14     3.1706    -2.3658     0.1859	H	1	noname	0.0243
23	H15    -2.4078     1.4341     0.8067	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	6	1
2	1	23	1
3	2	3	1
4	2	4	1
5	2	5	1
6	3	6	1
7	3	9	1
8	3	10	1
9	4	7	1
10	4	13	1
11	4	14	1
12	5	8	1
13	5	11	1
14	5	12	1
15	6	15	1
16	6	16	1
17	7	19	1
18	7	20	1
19	7	21	1
20	8	17	1
21	8	18	1
22	8	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1