@<TRIPOS>MOLECULE
85842256
17 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.0741     1.1954     0.0236	N.2	1	noname	-0.2489
2	C1    -0.0259    -0.0403     0.0407	C.2	1	noname	0.0056
3	C2     1.4270    -0.0066     0.0821	C.2	1	noname	0.0258
4	C3    -0.7291    -1.2756     0.1039	C.2	1	noname	-0.0413
5	C4    -0.7210     1.1923    -0.0601	C.2	1	noname	-0.0328
6	C5     2.1801    -1.2105     0.1839	C.2	1	noname	-0.0167
7	C6     0.0373    -2.4693     0.2126	C.2	1	noname	-0.0595
8	C7     1.4616    -2.4387     0.2515	C.2	1	noname	-0.0535
9	C8    -0.0047     2.4141    -0.1332	C.2	1	noname	-0.0330
10	C9     1.4106     2.3889    -0.0876	C.2	1	noname	-0.0082
11	H1    -1.7482    -1.3044     0.0724	H	1	noname	0.0629
12	H2    -1.7408     1.1998    -0.0802	H	1	noname	0.0630
13	H3     3.1997    -1.1941     0.2076	H	1	noname	0.0645
14	H4    -0.4436    -3.3674     0.2639	H	1	noname	0.0622
15	H5     1.9776    -3.3151     0.3294	H	1	noname	0.0623
16	H6    -0.5028     3.3002    -0.2176	H	1	noname	0.0638
17	H7     1.9370     3.2611    -0.1378	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	3	1
2	1	10	2
3	2	3	1
4	2	4	2
5	2	5	1
6	3	6	2
7	4	7	1
8	4	11	1
9	5	9	2
10	5	12	1
11	6	8	1
12	6	13	1
13	7	8	2
14	7	14	1
15	8	15	1
16	9	10	1
17	9	16	1
18	10	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1