@<TRIPOS>MOLECULE
DB04745
18 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3020     1.1245    -0.3104	O.2	1	noname	-0.2803
2	C1     2.0652     1.1633    -0.1330	C.2	1	noname	0.0900
3	N1     1.3603    -0.0061     0.0193	N.3	1	noname	-0.1389
4	C2     1.4032     2.4052    -0.0905	C.2	1	noname	0.0452
5	C3    -0.0084    -0.0359     0.1618	C.2	1	noname	-0.0127
6	C4    -0.0059     2.4364     0.0967	C.2	1	noname	-0.0085
7	C5    -0.7391     1.2215     0.1829	C.2	1	noname	-0.0204
8	C6    -0.6945    -1.2859     0.1564	C.2	1	noname	-0.0341
9	C7    -2.1660     1.2377     0.1695	C.2	1	noname	-0.0443
10	C8    -2.1162    -1.2559     0.1090	C.2	1	noname	-0.0554
11	C9    -2.8406    -0.0139     0.1063	C.2	1	noname	-0.0599
12	H1     1.8686    -0.8789     0.0269	H	1	noname	0.1374
13	H2     1.9726     3.3280    -0.2008	H	1	noname	0.0675
14	H3    -0.5243     3.3921     0.1742	H	1	noname	0.0631
15	H4    -0.1517    -2.2307     0.1875	H	1	noname	0.0639
16	H5    -2.7220     2.1745     0.2064	H	1	noname	0.0629
17	H6    -2.6595    -2.2002     0.0742	H	1	noname	0.0623
18	H7    -3.9293    -0.0215     0.0549	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	2
11	9	11	2
12	10	11	1
13	3	12	1
14	4	13	1
15	6	14	1
16	8	15	1
17	9	16	1
18	10	17	1
19	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1