@<TRIPOS>MOLECULE
72941472
29 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.1041     0.1118    -0.2991	N.3	1	noname	0.0000
2	C1    -0.9721     0.2772     0.8656	C.3	1	noname	0.0000
3	C2     1.1942    -0.4057     0.1302	C.3	1	noname	0.0000
4	C3    -0.7182    -0.8287    -1.2350	C.3	1	noname	0.0000
5	C4     0.0799     1.4042    -0.9573	C.3	1	noname	0.0000
6	C5    -2.0769    -0.2872    -1.6843	C.3	1	noname	0.0000
7	C6     2.1026    -0.5788    -1.0887	C.3	1	noname	0.0000
8	C7    -1.1646    -1.0753     1.5544	C.3	1	noname	0.0000
9	C8     0.7226     2.3884     0.0220	C.3	1	noname	0.0000
10	H1    -1.9400     0.6630     0.5455	H	1	noname	0.0000
11	H2    -0.5142     0.9784     1.5633	H	1	noname	0.0000
12	H3    -0.8554    -1.7923    -0.7443	H	1	noname	0.0000
13	H4    -0.0711    -0.9520    -2.1034	H	1	noname	0.0000
14	H5     1.0570    -1.3692     0.6209	H	1	noname	0.0000
15	H6     1.6520     0.2955     0.8279	H	1	noname	0.0000
16	H7    -0.8880     1.7900    -1.2774	H	1	noname	0.0000
17	H8     0.7271     1.2808    -1.8257	H	1	noname	0.0000
18	H9    -1.8118    -0.9520     2.4228	H	1	noname	0.0000
19	H10    -1.6225    -1.7765     0.8567	H	1	noname	0.0000
20	H11    -0.1967    -1.4611     1.8745	H	1	noname	0.0000
21	H12     3.0705    -0.9646    -0.7687	H	1	noname	0.0000
22	H13     1.6447    -1.2800    -1.7865	H	1	noname	0.0000
23	H14     2.2397     0.3848    -1.5795	H	1	noname	0.0000
24	H15    -2.5347    -0.9884    -2.3820	H	1	noname	0.0000
25	H16    -2.7240    -0.1639    -0.8159	H	1	noname	0.0000
26	H17    -1.9397     0.6764    -2.1750	H	1	noname	0.0000
27	H18     0.8598     3.3520    -0.4687	H	1	noname	0.0000
28	H19     0.0755     2.5117     0.8904	H	1	noname	0.0000
29	H20     1.6905     2.0026     0.3421	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	8	1
6	2	10	1
7	2	11	1
8	3	7	1
9	3	14	1
10	3	15	1
11	4	6	1
12	4	12	1
13	4	13	1
14	5	9	1
15	5	16	1
16	5	17	1
17	6	24	1
18	6	25	1
19	6	26	1
20	7	21	1
21	7	22	1
22	7	23	1
23	8	18	1
24	8	19	1
25	8	20	1
26	9	27	1
27	9	28	1
28	9	29	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1