@<TRIPOS>MOLECULE
DB03736
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.0300     1.1346    -1.2864	O.2	1	noname	-0.3053
2	C1    -2.8936     1.0570    -1.7233	C.2	1	noname	0.1249
3	C2    -2.0578    -0.0419    -1.3506	C.3	1	noname	0.0120
4	C3    -0.8064     0.4854    -0.6456	C.3	1	noname	-0.0412
5	C4    -1.6482    -0.8189    -2.6033	C.3	1	noname	-0.0558
6	C5     0.0879    -0.6902    -0.2468	C.3	1	noname	-0.0407
7	C6     1.3392    -0.1630     0.4581	C.3	1	noname	-0.0501
8	C7     0.1923    -0.7572     1.2781	C.3	1	noname	-0.0501
9	H1    -2.6486     1.8892    -2.3832	H	1	noname	0.1044
10	H2    -2.6575    -0.6590    -0.6816	H	1	noname	0.0377
11	H3    -0.2518     1.0670    -1.3821	H	1	noname	0.0276
12	H4    -1.1407     0.9545     0.2797	H	1	noname	0.0276
13	H5    -1.7131    -1.8887    -2.4047	H	1	noname	0.0237
14	H6    -2.3157    -0.5608    -3.4254	H	1	noname	0.0237
15	H7    -0.6239    -0.5608    -2.8722	H	1	noname	0.0237
16	H8    -0.1135    -1.4039    -1.0457	H	1	noname	0.0303
17	H9     2.2288    -0.7866     0.3698	H	1	noname	0.0269
18	H10     1.4360     0.9220     0.4992	H	1	noname	0.0269
19	H11    -0.4185    -0.0389     1.8251	H	1	noname	0.0269
20	H12     0.3743    -1.7475     1.6957	H	1	noname	0.0269
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	1
4	3	5	1
5	4	6	1
6	6	7	1
7	6	8	1
8	7	8	1
9	2	9	1
10	3	10	1
11	4	11	1
12	4	12	1
13	5	13	1
14	5	14	1
15	5	15	1
16	6	16	1
17	7	17	1
18	7	18	1
19	8	19	1
20	8	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
