@<TRIPOS>MOLECULE
90478377
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.2382     0.0004     0.0432	N.3	1	noname	-0.0531
2	N2     3.6279    -2.7737    -0.5325	N.3	1	noname	-0.3300
3	N3     0.5568     2.1470    -0.0433	N.2	1	noname	-0.2466
4	C1     2.5651    -0.8043     0.4480	C.3	1	noname	0.0305
5	C2     1.5440     0.2159     0.2284	C.2	1	noname	-0.0709
6	C3     2.6054    -1.7521    -0.7524	C.3	1	noname	-0.0023
7	C4     1.7518     1.5874     0.1738	C.2	1	noname	0.0033
8	C5    -0.3687     1.1829    -0.1236	C.2	1	noname	-0.0620
9	H1     2.3264    -1.3691     1.3491	H	1	noname	0.0342
10	H2     3.5373    -0.3257     0.5659	H	1	noname	0.0342
11	H3     1.6332    -2.2306    -0.8703	H	1	noname	0.0429
12	H4     2.8440    -1.1872    -1.6535	H	1	noname	0.0429
13	H5    -0.1969    -0.8664     0.0314	H	1	noname	0.1534
14	H6     2.6423     2.0736     0.2788	H	1	noname	0.0856
15	H7    -1.3660     1.3246    -0.2843	H	1	noname	0.1013
16	H8     3.6548    -3.4068    -1.3343	H	1	noname	0.1184
17	H9     3.4042    -3.3033     0.3124	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	5	1
2	1	8	1
3	1	13	1
4	2	6	1
5	2	16	1
6	2	17	1
7	3	7	1
8	3	8	2
9	4	5	1
10	4	6	1
11	4	9	1
12	4	10	1
13	5	7	2
14	6	11	1
15	6	12	1
16	7	14	1
17	8	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1