@<TRIPOS>MOLECULE
DB02601
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5834    -1.0036     1.3047	O.2	1	noname	-0.2480
2	C1    -1.3849    -1.1610     0.9865	C.2	1	noname	0.1460
3	O2    -0.4827    -1.5356     1.9183	O.3	1	noname	-0.2127
4	C2    -0.9607    -0.9398    -0.3929	C.3	1	noname	0.1169
5	N1    -0.3889    -2.1732    -0.9306	N.3	1	noname	-0.3157
6	C3     0.0442     0.1188    -0.4292	C.2	1	noname	-0.0555
7	C4     1.3923    -0.1983    -0.3106	C.2	1	noname	-0.0406
8	C5    -0.3473     1.4437    -0.5823	C.2	1	noname	-0.0406
9	C6     2.3490     0.8095    -0.3452	C.2	1	noname	-0.0292
10	C7     0.6094     2.4515    -0.6168	C.2	1	noname	-0.0292
11	C8     1.9575     2.1344    -0.4983	C.2	1	noname	-0.0013
12	O3     2.8866     3.1132    -0.5319	O.3	1	noname	-0.2861
13	H1    -0.8459    -1.3849     2.7941	H	1	noname	0.2213
14	H2    -1.8207    -0.6442    -0.9938	H	1	noname	0.0623
15	H3    -0.9849    -2.9671    -1.1164	H	1	noname	0.1195
16	H4     0.6022    -2.2313    -1.1164	H	1	noname	0.1195
17	H5     1.6993    -1.2373    -0.1906	H	1	noname	0.0627
18	H6    -1.4045     1.6924    -0.6752	H	1	noname	0.0627
19	H7     3.4061     0.5608    -0.2523	H	1	noname	0.0650
20	H8     0.3024     3.4905    -0.7369	H	1	noname	0.0650
21	H9     3.1224     3.3615     0.3650	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	11	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	5	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1