@<TRIPOS>MOLECULE
DB02178
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6246    -1.5721    -0.9251	O.2	1	noname	-0.3047
2	C1    -2.0990    -0.9034    -0.0505	C.2	1	noname	0.1259
3	C2    -0.8339    -1.2970     0.4875	C.3	1	noname	0.0282
4	C3     0.1430    -0.2360     0.2601	C.2	1	noname	-0.0519
5	C4     0.9024    -0.2284    -0.9041	C.2	1	noname	-0.0553
6	C5     0.3137     0.7664     1.2078	C.2	1	noname	-0.0553
7	C6     1.8324     0.7817    -1.1206	C.2	1	noname	-0.0601
8	C7     1.2437     1.7765     0.9913	C.2	1	noname	-0.0601
9	C8     2.0031     1.7841    -0.1729	C.2	1	noname	-0.0615
10	H1    -2.7017    -0.0376     0.2238	H	1	noname	0.1044
11	H2    -0.9705    -1.3820     1.5656	H	1	noname	0.0393
12	H3    -0.5089    -2.1620    -0.0905	H	1	noname	0.0393
13	H4     0.7685    -1.0144    -1.6473	H	1	noname	0.0625
14	H5    -0.2818     0.7603     2.1208	H	1	noname	0.0625
15	H6     2.4278     0.7877    -2.0336	H	1	noname	0.0622
16	H7     1.3776     2.5625     1.7345	H	1	noname	0.0622
17	H8     2.7324     2.5762    -0.3427	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	2	10	1
11	3	11	1
12	3	12	1
13	5	13	1
14	6	14	1
15	7	15	1
16	8	16	1
17	9	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1