@<TRIPOS>MOLECULE
DB04580
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3020     1.1245    -0.3104	O.2	1	noname	-0.2792
2	C1     2.0652     1.1633    -0.1330	C.2	1	noname	0.0926
3	N1     1.3603    -0.0061     0.0193	N.3	1	noname	-0.1331
4	C2     1.4032     2.4052    -0.0905	C.2	1	noname	0.0463
5	C3    -0.0084    -0.0359     0.1618	C.2	1	noname	-0.0114
6	C4     2.0679    -1.2257     0.0302	C.3	1	noname	-0.0003
7	C5    -0.0059     2.4364     0.0967	C.2	1	noname	-0.0079
8	C6    -0.7391     1.2215     0.1829	C.2	1	noname	-0.0190
9	C7    -0.6945    -1.2859     0.1564	C.2	1	noname	-0.0327
10	C8    -2.1660     1.2377     0.1695	C.2	1	noname	-0.0440
11	C9    -2.1162    -1.2559     0.1090	C.2	1	noname	-0.0550
12	C10    -2.8406    -0.0139     0.1063	C.2	1	noname	-0.0592
13	H1     1.9726     3.3280    -0.2008	H	1	noname	0.0675
14	H2     2.2463    -1.5331     1.0607	H	1	noname	0.0403
15	H3     1.4824    -1.9900    -0.4808	H	1	noname	0.0403
16	H4     3.0220    -1.0967    -0.4808	H	1	noname	0.0403
17	H5    -0.5243     3.3921     0.1742	H	1	noname	0.0631
18	H6    -0.1517    -2.2307     0.1875	H	1	noname	0.0639
19	H7    -2.7220     2.1745     0.2064	H	1	noname	0.0629
20	H8    -2.6595    -2.2002     0.0742	H	1	noname	0.0623
21	H9    -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	3	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	7	8	1
10	8	10	1
11	9	11	2
12	10	12	2
13	11	12	1
14	4	13	1
15	6	14	1
16	6	15	1
17	6	16	1
18	7	17	1
19	9	18	1
20	10	19	1
21	11	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1