@<TRIPOS>MOLECULE
76971941
18 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4907     2.7172    -0.0000	O.3	1	noname	-0.3949
2	O2     3.3920    -1.4425    -0.0000	O.3	1	noname	-0.3949
3	N1    -0.0000    -0.0000    -0.0000	N.3	1	noname	-0.3121
4	C1    -0.4873     1.3784    -0.0000	C.3	1	noname	0.0186
5	C2     1.4620    -0.0000    -0.0000	C.3	1	noname	0.0186
6	C3    -2.0173     1.3784    -0.0000	C.3	1	noname	0.0557
7	C4     1.9720    -1.4425    -0.0000	C.3	1	noname	0.0557
8	H1    -0.1240     1.8922    -0.8900	H	1	noname	0.0451
9	H2    -0.1240     1.8922     0.8900	H	1	noname	0.0451
10	H3     1.8253     0.5138     0.8900	H	1	noname	0.0451
11	H4     1.8253     0.5138    -0.8900	H	1	noname	0.0451
12	H5    -0.3407    -0.4818     0.8345	H	1	noname	0.1224
13	H6    -2.3807     0.8646    -0.8900	H	1	noname	0.0576
14	H7    -2.3807     0.8646     0.8900	H	1	noname	0.0576
15	H8     1.6087    -1.9563    -0.8900	H	1	noname	0.0576
16	H9     1.6087    -1.9563     0.8900	H	1	noname	0.0576
17	H10     3.7187    -2.3665    -0.0000	H	1	noname	0.2100
18	H11    -3.4707     2.7172    -0.0000	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	6	1
2	1	18	1
3	2	7	1
4	2	17	1
5	3	4	1
6	3	5	1
7	3	12	1
8	4	6	1
9	4	8	1
10	4	9	1
11	5	7	1
12	5	10	1
13	5	11	1
14	6	13	1
15	6	14	1
16	7	15	1
17	7	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1