@<TRIPOS>MOLECULE
72941474
29 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.3549     0.0378     0.2133	N.3	1	noname	0.0000
2	C1     0.6957    -0.8332    -0.3109	C.3	1	noname	0.0000
3	C2     0.0132     1.4348    -0.0110	C.3	1	noname	0.0000
4	C3    -1.6139    -0.2504    -0.4718	C.3	1	noname	0.0000
5	C4    -0.5148    -0.1998     1.6470	C.3	1	noname	0.0000
6	C5    -1.0864     2.3464     0.5376	C.3	1	noname	0.0000
7	C6     2.0132    -0.5315     0.4061	C.3	1	noname	0.0000
8	C7    -1.4466    -0.0017    -1.9721	C.3	1	noname	0.0000
9	C8    -0.9000    -1.6618     1.8817	C.3	1	noname	0.0000
10	H1    -2.3972     0.3990    -0.0810	H	1	noname	0.0000
11	H2    -1.8883    -1.2920    -0.3046	H	1	noname	0.0000
12	H3     0.4213    -1.8747    -0.1436	H	1	noname	0.0000
13	H4     0.8149    -0.6560    -1.3798	H	1	noname	0.0000
14	H5     0.1324     1.6121    -1.0799	H	1	noname	0.0000
15	H6     0.9518     1.6498     0.4998	H	1	noname	0.0000
16	H7    -1.2981     0.4496     2.0378	H	1	noname	0.0000
17	H8     0.4238     0.0151     2.1578	H	1	noname	0.0000
18	H9     2.7966    -1.1809     0.0153	H	1	noname	0.0000
19	H10     1.8941    -0.7087     1.4750	H	1	noname	0.0000
20	H11     2.2877     0.5100     0.2389	H	1	noname	0.0000
21	H12    -0.8119     3.3879     0.3704	H	1	noname	0.0000
22	H13    -2.0250     2.1315     0.0268	H	1	noname	0.0000
23	H14    -1.2056     2.1692     1.6065	H	1	noname	0.0000
24	H15    -2.3852    -0.2166    -2.4830	H	1	noname	0.0000
25	H16    -1.1721     1.0398    -2.1394	H	1	noname	0.0000
26	H17    -0.6632    -0.6511    -2.3630	H	1	noname	0.0000
27	H18    -1.0192    -1.8390     2.9506	H	1	noname	0.0000
28	H19    -1.8386    -1.8768     1.3709	H	1	noname	0.0000
29	H20    -0.1167    -2.3112     1.4909	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	1	5	1
5	2	7	1
6	2	12	1
7	2	13	1
8	3	6	1
9	3	14	1
10	3	15	1
11	4	8	1
12	4	10	1
13	4	11	1
14	5	9	1
15	5	16	1
16	5	17	1
17	6	21	1
18	6	22	1
19	6	23	1
20	7	18	1
21	7	19	1
22	7	20	1
23	8	24	1
24	8	25	1
25	8	26	1
26	9	27	1
27	9	28	1
28	9	29	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1