@<TRIPOS>MOLECULE
50078826
18 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9947    -0.1036    -0.0857	O.3	1	noname	-0.3089
2	N1     1.7292     0.9689    -0.1764	N.2	1	noname	-0.1542
3	C1    -0.2791     0.2811     0.1404	C.2	1	noname	0.1032
4	C2     0.9893     2.0735    -0.0180	C.2	1	noname	0.0645
5	C3    -1.3685    -0.5678     0.2977	C.2	1	noname	-0.0247
6	C4    -0.3172     1.6648     0.1893	C.2	1	noname	0.0477
7	C5    -1.3890    -1.7989    -0.3473	C.2	1	noname	-0.0243
8	C6    -2.4374    -0.1855     1.0998	C.2	1	noname	-0.0243
9	C7    -2.4784    -2.6478    -0.1900	C.2	1	noname	-0.0506
10	C8    -3.5267    -1.0344     1.2571	C.2	1	noname	-0.0506
11	C9    -3.5472    -2.2656     0.6121	C.2	1	noname	-0.0437
12	H1     1.3712     3.0939    -0.0510	H	1	noname	0.0864
13	H2    -1.1894     2.2972     0.3554	H	1	noname	0.0668
14	H3    -0.5508    -2.0987    -0.9763	H	1	noname	0.0629
15	H4    -2.4213     0.7799     1.6056	H	1	noname	0.0629
16	H5    -2.4945    -3.6133    -0.6958	H	1	noname	0.0622
17	H6    -4.3649    -0.7346     1.8861	H	1	noname	0.0622
18	H7    -4.4015    -2.9312     0.7355	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	3	5	1
5	3	6	2
6	4	6	1
7	5	7	2
8	5	8	1
9	7	9	1
10	8	10	2
11	9	11	2
12	10	11	1
13	4	12	1
14	6	13	1
15	7	14	1
16	8	15	1
17	9	16	1
18	10	17	1
19	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1