@<TRIPOS>MOLECULE
71586826
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.2877     3.6707    -0.1185	N.3	1	noname	-0.1571
2	C1     0.7923    -1.8773     0.2143	C.3	1	noname	0.0046
3	C2     0.9219    -0.4256     0.1272	C.2	1	noname	-0.0882
4	C3     0.7852    -2.3014     1.6843	C.3	1	noname	-0.0587
5	C4    -0.5160    -2.3131    -0.4486	C.3	1	noname	-0.0587
6	C5     2.1822     0.1568     0.0602	C.2	1	noname	-0.0663
7	C6    -0.2150     0.3739     0.1113	C.2	1	noname	-0.0663
8	C7     2.3056     1.5389    -0.0227	C.2	1	noname	-0.0720
9	C8    -0.0916     1.7560     0.0284	C.2	1	noname	-0.0720
10	C9     1.1687     2.3384    -0.0386	C.2	1	noname	-0.0431
11	H1     1.6326    -2.3483    -0.2957	H	1	noname	0.0346
12	H2    -0.6128    -3.3969    -0.3836	H	1	noname	0.0236
13	H3     0.6884    -3.3851     1.7493	H	1	noname	0.0236
14	H4    -0.0551    -1.8303     2.1943	H	1	noname	0.0236
15	H5     1.7172    -1.9909     2.1565	H	1	noname	0.0236
16	H6    -1.3563    -1.8421     0.0614	H	1	noname	0.0236
17	H7    -0.5109    -2.0110    -1.4959	H	1	noname	0.0236
18	H8     3.0164    -0.4299     0.0719	H	1	noname	0.0626
19	H9    -1.1398    -0.0535     0.1604	H	1	noname	0.0626
20	H10     3.2304     1.9663    -0.0719	H	1	noname	0.0639
21	H11    -0.9259     2.3427     0.0167	H	1	noname	0.0639
22	H12     2.2270     3.9097    -0.1572	H	1	noname	0.1242
23	H13     0.8401     3.9879    -0.9185	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	10	1
2	1	22	1
3	1	23	1
4	2	3	1
5	2	4	1
6	2	5	1
7	2	11	1
8	3	6	2
9	3	7	1
10	4	13	1
11	4	14	1
12	4	15	1
13	5	12	1
14	5	16	1
15	5	17	1
16	6	8	1
17	6	18	1
18	7	9	2
19	7	19	1
20	8	10	2
21	8	20	1
22	9	10	1
23	9	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1