@<TRIPOS>MOLECULE
119025853
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0152     0.0299     2.4759	O.2	1	noname	-0.1711
2	N1     0.3989     0.4529     0.4114	N.3	1	noname	0.0121
3	N2    -0.1873    -0.2308     1.3586	N.2	1	noname	-0.1062
4	C1     1.4177    -0.0445    -1.9110	C.3	1	noname	-0.0293
5	C2     0.0873     0.4302    -2.5748	C.3	1	noname	-0.0481
6	C3     1.2376    -0.4690    -0.4254	C.3	1	noname	0.0259
7	C4    -1.0841     0.9028    -1.6580	C.3	1	noname	-0.0381
8	C5    -0.6035     1.3547    -0.2486	C.3	1	noname	0.0233
9	C6     2.4589     1.0732    -1.9994	C.3	1	noname	-0.0612
10	H1     1.8481    -0.8658    -2.4840	H	1	noname	0.0313
11	H2    -0.2732    -0.3397    -3.2571	H	1	noname	0.0270
12	H3     0.3790     1.2779    -3.1947	H	1	noname	0.0270
13	H4     0.8231    -1.4762    -0.3831	H	1	noname	0.0455
14	H5     2.2062    -0.6086     0.0547	H	1	noname	0.0455
15	H6    -1.8111     0.0974    -1.5531	H	1	noname	0.0280
16	H7    -1.6353     1.7094    -2.1415	H	1	noname	0.0280
17	H8    -1.4658     1.4803     0.4063	H	1	noname	0.0452
18	H9    -0.0780     2.2908    -0.4373	H	1	noname	0.0452
19	H10     3.3880     0.7417    -1.5358	H	1	noname	0.0234
20	H11     2.0885     1.9567    -1.4795	H	1	noname	0.0234
21	H12     2.6418     1.3174    -3.0458	H	1	noname	0.0234
@<TRIPOS>BOND
1	1	3	2
2	2	3	1
3	2	6	1
4	2	8	1
5	4	5	1
6	4	6	1
7	4	9	1
8	4	10	1
9	5	7	1
10	5	11	1
11	5	12	1
12	6	13	1
13	6	14	1
14	7	8	1
15	7	15	1
16	7	16	1
17	8	17	1
18	8	18	1
19	9	19	1
20	9	20	1
21	9	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1