@<TRIPOS>MOLECULE
119025780
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.2822     2.4753    -0.1048	O.3	1	noname	-0.2212
2	O2     4.3083    -0.8318     0.0561	O.2	1	noname	-0.3005
3	O3    -0.0467     2.2047    -0.0631	O.2	1	noname	-0.2624
4	N1     3.4244     1.2297     0.0101	N.3	1	noname	-0.0909
5	C1     0.9732     0.1098    -0.0143	C.2	1	noname	-0.0237
6	C2    -0.2383    -0.4390    -0.0264	C.2	1	noname	-0.0163
7	C3     2.0539    -0.6649     0.0156	C.2	1	noname	0.0217
8	C4    -1.3190     0.3357    -0.0563	C.2	1	noname	0.0551
9	C5     3.2926    -0.1037     0.0280	C.2	1	noname	0.0102
10	C6    -1.1853     1.6889    -0.0745	C.2	1	noname	0.0906
11	H1     1.0705     1.0949    -0.0275	H	1	noname	0.0624
12	H2    -0.3356    -1.4241    -0.0131	H	1	noname	0.0624
13	H3     1.9565    -1.6500     0.0289	H	1	noname	0.0674
14	H4    -2.2207    -0.0728    -0.0653	H	1	noname	0.0686
15	H5     2.6362     1.7946    -0.0117	H	1	noname	0.1274
16	H6     4.3079     1.6299     0.0189	H	1	noname	0.1274
17	H7    -2.2593     3.3644     0.3066	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	10	1
2	1	17	1
3	2	9	2
4	3	10	2
5	4	9	1
6	4	15	1
7	4	16	1
8	5	6	1
9	5	7	2
10	5	11	1
11	6	8	2
12	6	12	1
13	7	9	1
14	7	13	1
15	8	10	1
16	8	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1