@<TRIPOS>MOLECULE
91617772
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.1985    -0.2732    -1.0137	N.3	1	noname	-0.3134
2	N2    -0.7925    -1.6466     1.9029	N.1	1	noname	-0.1878
3	C1    -0.2223    -0.0504     0.0516	C.3	1	noname	0.1038
4	C2     1.1987    -0.3939    -0.5155	C.3	1	noname	-0.0215
5	C3    -0.4767     1.4215     0.5330	C.3	1	noname	-0.0215
6	C4     2.0056     0.8296    -1.0442	C.3	1	noname	-0.0505
7	C5     0.8126     2.2221     0.8945	C.3	1	noname	-0.0505
8	C6     1.9922     2.0961    -0.1245	C.3	1	noname	-0.0531
9	C7    -0.5317    -0.9166     1.0561	C.1	1	noname	0.0760
10	H1     1.1040    -1.1365    -1.3077	H	1	noname	0.0296
11	H2     1.7690    -0.7859     0.3267	H	1	noname	0.0296
12	H3    -1.1507     1.4122     1.3895	H	1	noname	0.0296
13	H4    -0.9228     1.9405    -0.3153	H	1	noname	0.0296
14	H5     1.6481     1.0986    -2.0382	H	1	noname	0.0267
15	H6     3.0384     0.5264    -1.2160	H	1	noname	0.0267
16	H7     0.5610     3.2739     1.0307	H	1	noname	0.0267
17	H8     1.1790     1.7846     1.8232	H	1	noname	0.0267
18	H9     2.0369     2.9936    -0.7414	H	1	noname	0.0266
19	H10     2.8960     2.0843     0.4847	H	1	noname	0.0266
20	H11    -1.1630    -1.2509    -1.3094	H	1	noname	0.1199
21	H12    -2.1354    -0.0557    -0.6681	H	1	noname	0.1199
@<TRIPOS>BOND
1	1	3	1
2	1	20	1
3	1	21	1
4	2	9	3
5	3	4	1
6	3	5	1
7	3	9	1
8	4	6	1
9	4	10	1
10	4	11	1
11	5	7	1
12	5	12	1
13	5	13	1
14	6	8	1
15	6	14	1
16	6	15	1
17	7	8	1
18	7	16	1
19	7	17	1
20	8	18	1
21	8	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1