@<TRIPOS>MOLECULE
DB06838
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.4030    -2.6145     0.0986	O.2	1	noname	-0.2480
2	C1    -2.4383    -2.0772     0.6844	C.2	1	noname	0.1480
3	O2    -1.8813    -2.6772     1.7578	O.3	1	noname	-0.2046
4	C2    -1.9138    -0.8007     0.2076	C.3	1	noname	0.0955
5	C3    -1.8933    -4.0930     1.8656	C.3	1	noname	0.0454
6	N1    -2.0257     0.1989     1.2686	N.3	1	noname	-0.3191
7	C4    -0.4440    -0.9673    -0.1832	C.3	1	noname	-0.0030
8	C5     0.0804     0.3092    -0.6599	C.2	1	noname	-0.0541
9	C6     0.6606     1.2001     0.2354	C.2	1	noname	-0.0567
10	C7    -0.0004     0.6335    -2.0092	C.2	1	noname	-0.0567
11	C8     1.1599     2.4154    -0.2184	C.2	1	noname	-0.0604
12	C9     0.4989     1.8487    -2.4630	C.2	1	noname	-0.0604
13	C10     1.0791     2.7397    -1.5677	C.2	1	noname	-0.0616
14	H1    -2.5254    -0.4754    -0.6339	H	1	noname	0.0575
15	H2    -1.8957    -4.3773     2.9178	H	1	noname	0.0536
16	H3    -2.7866    -4.4868     1.3808	H	1	noname	0.0536
17	H4    -1.0067    -4.5018     1.3808	H	1	noname	0.0536
18	H5    -1.1945     0.5442     1.7268	H	1	noname	0.1192
19	H6    -2.9342     0.5442     1.5433	H	1	noname	0.1192
20	H7     0.1135    -1.2004     0.7240	H	1	noname	0.0337
21	H8    -0.4049    -1.6448    -1.0362	H	1	noname	0.0337
22	H9     0.7241     0.9458     1.2935	H	1	noname	0.0625
23	H10    -0.4554    -0.0652    -2.7113	H	1	noname	0.0625
24	H11     1.6149     3.1140     0.4837	H	1	noname	0.0622
25	H12     0.4354     2.1030    -3.5210	H	1	noname	0.0622
26	H13     1.4706     3.6926    -1.9236	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	1
6	4	7	1
7	7	8	1
8	8	9	2
9	8	10	1
10	9	11	1
11	10	12	2
12	11	13	2
13	12	13	1
14	4	14	1
15	5	15	1
16	5	16	1
17	5	17	1
18	6	18	1
19	6	19	1
20	7	20	1
21	7	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	12	25	1
26	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1