@<TRIPOS>MOLECULE
121225718
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4255     1.8709     2.3914	O.2	1	noname	-0.1707
2	N1     0.7443     0.5424     0.7414	N.3	1	noname	0.0158
3	N2     1.3470     1.6365     1.2506	N.2	1	noname	-0.1044
4	C1     1.7642    -0.2520    -0.0224	C.3	1	noname	0.0321
5	C2    -0.2721     0.9786    -0.2788	C.3	1	noname	0.0321
6	C3     1.9728     0.5889    -1.3026	C.3	1	noname	-0.0342
7	C4     0.5808     1.2210    -1.5654	C.3	1	noname	-0.0342
8	C5    -1.4713    -0.0181    -0.4419	C.3	1	noname	-0.0475
9	C6     1.3064    -1.6948    -0.3949	C.3	1	noname	-0.0475
10	H1    -0.7285     1.9304     0.0236	H	1	noname	0.0485
11	H2     2.6877    -0.3378     0.5573	H	1	noname	0.0485
12	H3     0.1093     0.7713    -2.4401	H	1	noname	0.0284
13	H4     0.6967     2.2959    -1.7522	H	1	noname	0.0284
14	H5     2.3056    -0.0155    -2.1450	H	1	noname	0.0284
15	H6     2.7194     1.3644    -1.1162	H	1	noname	0.0284
16	H7     2.1258    -2.3383    -0.6975	H	1	noname	0.0247
17	H8     0.6723    -1.6717    -1.2679	H	1	noname	0.0247
18	H9     0.7717    -2.1684     0.4265	H	1	noname	0.0247
19	H10    -2.1832     0.3464    -1.1640	H	1	noname	0.0247
20	H11    -1.9409    -0.2209     0.5065	H	1	noname	0.0247
21	H12    -1.2401    -0.9919    -0.8086	H	1	noname	0.0247
@<TRIPOS>BOND
1	1	3	2
2	2	3	1
3	2	4	1
4	2	5	1
5	4	6	1
6	4	9	1
7	4	11	1
8	5	7	1
9	5	8	1
10	5	10	1
11	6	7	1
12	6	14	1
13	6	15	1
14	7	12	1
15	7	13	1
16	8	19	1
17	8	20	1
18	8	21	1
19	9	16	1
20	9	17	1
21	9	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1