@<TRIPOS>MOLECULE
66630148
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0785    -0.0487    -0.8082	O.3	1	noname	-0.3642
2	N1     0.6072     2.1825    -0.8358	N.3	1	noname	-0.2871
3	C1     1.5375     1.4724     0.0464	C.3	1	noname	0.0406
4	C2     1.0348     0.0415     0.2299	C.3	1	noname	0.0665
5	C3     2.9274     1.4467    -0.5926	C.3	1	noname	-0.0357
6	C4     1.6131     2.1269     1.4273	C.3	1	noname	-0.0445
7	C5    -0.5038     1.2467    -0.7936	C.3	1	noname	0.0972
8	C6     3.4183     2.8804    -0.8035	C.3	1	noname	-0.0635
9	H1     0.5340    -0.0469     1.1940	H	1	noname	0.0586
10	H2     1.8204    -0.7118     0.1710	H	1	noname	0.0586
11	H3     2.8760     0.9352    -1.5537	H	1	noname	0.0283
12	H4     3.6193     0.9186     0.0636	H	1	noname	0.0283
13	H5     0.9914     2.2128    -1.7824	H	1	noname	0.1251
14	H6     2.3124     1.5733     2.0539	H	1	noname	0.0250
15	H7     0.6256     2.1171     1.8886	H	1	noname	0.0250
16	H8     1.9553     3.1565     1.3231	H	1	noname	0.0250
17	H9    -1.1225     1.3770    -1.6815	H	1	noname	0.0738
18	H10    -1.0223     1.3520     0.1594	H	1	noname	0.0738
19	H11     4.4085     2.8621    -1.2587	H	1	noname	0.0231
20	H12     2.7265     3.4085    -1.4597	H	1	noname	0.0231
21	H13     3.4697     3.3920     0.1576	H	1	noname	0.0231
@<TRIPOS>BOND
1	1	4	1
2	1	7	1
3	2	3	1
4	2	7	1
5	2	13	1
6	3	4	1
7	3	5	1
8	3	6	1
9	4	9	1
10	4	10	1
11	5	8	1
12	5	11	1
13	5	12	1
14	6	14	1
15	6	15	1
16	6	16	1
17	7	17	1
18	7	18	1
19	8	19	1
20	8	20	1
21	8	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1