@<TRIPOS>MOLECULE
119025962
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6216     2.3624     0.9343	O.3	1	noname	-0.2212
2	O2     2.7862    -3.0778     0.2055	O.2	1	noname	-0.3005
3	O3    -2.4159     0.1637     0.8019	O.2	1	noname	-0.2624
4	N1     0.6694    -2.6404     0.0130	N.3	1	noname	-0.0909
5	C1     1.6414     0.3042     0.1323	C.2	1	noname	-0.0237
6	C2     0.3289     0.3791     0.4806	C.2	1	noname	-0.0163
7	C3     2.3438    -0.8418    -0.0081	C.2	1	noname	0.0217
8	C4    -0.5110     1.4158     0.3963	C.2	1	noname	0.0551
9	C5     1.9298    -2.1771     0.0720	C.2	1	noname	0.0102
10	C6    -1.8552     1.2813     0.7239	C.2	1	noname	0.0906
11	H1     2.1299     1.1585    -0.0330	H	1	noname	0.0624
12	H2    -0.0453    -0.4333     0.8500	H	1	noname	0.0624
13	H3     3.3152    -0.7274    -0.1834	H	1	noname	0.0674
14	H4    -0.1841     2.3143     0.1284	H	1	noname	0.0686
15	H5    -0.1288    -2.0749    -0.0561	H	1	noname	0.1274
16	H6     0.5403    -3.6014     0.0408	H	1	noname	0.1274
17	H7    -3.5563     2.2233     1.1848	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