@<TRIPOS>MOLECULE
DB06707
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7709    -0.9898     0.2397	O.3	1	noname	-0.2759
2	C1     0.0028     0.1012     0.0569	C.2	1	noname	0.0255
3	C2     1.3866    -0.0257     0.0239	C.2	1	noname	0.0226
4	C3    -0.5843     1.3516    -0.0982	C.2	1	noname	-0.0120
5	O2     1.9568    -1.2400     0.1745	O.3	1	noname	-0.2762
6	C4     2.1833     1.0977    -0.1643	C.2	1	noname	-0.0209
7	C5     0.2123     2.4750    -0.2864	C.2	1	noname	-0.0456
8	C6     1.5961     2.3480    -0.3194	C.2	1	noname	-0.0520
9	C7    -0.4044     3.7883    -0.4493	C.3	1	noname	0.0940
10	O3    -0.5555     4.4013     0.8226	O.3	1	noname	-0.3867
11	C8     0.4853     4.6632    -1.3347	C.3	1	noname	0.0317
12	N1    -0.1323     5.9783    -1.4978	N.3	1	noname	-0.3254
13	C9     1.8584     4.8224    -0.6789	C.3	1	noname	-0.0471
14	H1    -0.8835    -1.1485     1.1798	H	1	noname	0.2183
15	H2    -1.6695     1.4511    -0.0723	H	1	noname	0.0654
16	H3     2.0491    -1.4364     1.1097	H	1	noname	0.2183
17	H4     3.2684     0.9982    -0.1902	H	1	noname	0.0651
18	H5     2.2208     3.2290    -0.4670	H	1	noname	0.0627
19	H6    -1.4074     3.6590    -0.8559	H	1	noname	0.0668
20	H7    -0.6357     3.7230     1.4973	H	1	noname	0.2109
21	H8     0.5822     4.2302    -2.3303	H	1	noname	0.0490
22	H9     0.4462     6.8043    -1.5542	H	1	noname	0.1187
23	H10    -1.1373     6.0607    -1.5542	H	1	noname	0.1187
24	H11     1.7470     4.8094     0.4053	H	1	noname	0.0247
25	H12     2.5058     4.0015    -0.9874	H	1	noname	0.0247
26	H13     2.3008     5.7696    -0.9874	H	1	noname	0.0247
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	6	8	2
8	7	9	1
9	7	8	1
10	9	10	1
11	9	11	1
12	11	12	1
13	11	13	1
14	1	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
23	12	23	1
24	13	24	1
25	13	25	1
26	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1