@<TRIPOS>MOLECULE
119025801
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3211    -0.4440     1.8226	O.2	1	noname	-0.1711
2	N1    -0.0926     0.2372     0.2055	N.3	1	noname	0.0121
3	N2    -0.3674     0.1299     1.4788	N.2	1	noname	-0.1062
4	C1     2.4156     0.6002    -0.3005	C.3	1	noname	-0.0293
5	C2     2.0349     1.7907    -1.2352	C.3	1	noname	-0.0481
6	C3     1.2407    -0.3937    -0.0735	C.3	1	noname	0.0259
7	C4     0.5272     2.1500    -1.4197	C.3	1	noname	-0.0381
8	C5    -0.3624     1.6426    -0.2480	C.3	1	noname	0.0233
9	C6     3.6112    -0.1498    -0.8912	C.3	1	noname	-0.0612
10	H1     2.6495     1.0320     0.6727	H	1	noname	0.0313
11	H2     2.4964     1.6475    -2.2122	H	1	noname	0.0270
12	H3     2.5242     2.6559    -0.7881	H	1	noname	0.0270
13	H4     1.1556    -1.0581    -0.9334	H	1	noname	0.0455
14	H5     1.5120    -1.0337     0.7661	H	1	noname	0.0455
15	H6     0.1659     1.7301    -2.3584	H	1	noname	0.0280
16	H7     0.4113     3.2274    -1.5377	H	1	noname	0.0280
17	H8    -1.4132     1.7410    -0.5207	H	1	noname	0.0452
18	H9    -0.1537     2.2756     0.6144	H	1	noname	0.0452
19	H10     3.8771    -0.9812    -0.2384	H	1	noname	0.0234
20	H11     3.3490    -0.5320    -1.8777	H	1	noname	0.0234
21	H12     4.4593     0.5294    -0.9782	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