@<TRIPOS>MOLECULE
DB03711
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1658    -0.6588     0.2125	O.2	1	noname	-0.2995
2	C1     1.2728     0.1747    -0.0524	C.2	1	noname	0.1324
3	C2    -0.1329    -0.1851     0.1095	C.3	1	noname	0.0087
4	C3     1.6354     1.5081    -0.5238	C.3	1	noname	0.0032
5	C4    -1.0121     1.0051    -0.2794	C.3	1	noname	-0.0178
6	C5     2.4917     2.2075     0.5337	C.3	1	noname	-0.0584
7	C6    -2.4851     0.6280    -0.1097	C.3	1	noname	0.0597
8	O2    -3.3011     1.7327    -0.4706	O.3	1	noname	-0.3903
9	C7    -2.7508     0.2530     1.3496	C.3	1	noname	-0.0363
10	C8    -2.8134    -0.5643    -1.0105	C.3	1	noname	-0.0363
11	H1    -0.3227    -0.9830    -0.6085	H	1	noname	0.0347
12	H2    -0.2753    -0.3654     1.1750	H	1	noname	0.0347
13	H3     2.2593     1.3554    -1.4044	H	1	noname	0.0343
14	H4     0.6997     2.0610    -0.6081	H	1	noname	0.0343
15	H5    -0.8052     1.7975     0.4400	H	1	noname	0.0300
16	H6    -0.8525     1.1798    -1.3434	H	1	noname	0.0300
17	H7     2.1450     1.9243     1.5275	H	1	noname	0.0235
18	H8     3.5331     1.9090     0.4135	H	1	noname	0.0235
19	H9     2.4072     3.2876     0.4135	H	1	noname	0.0235
20	H10    -3.6217     2.1667     0.3234	H	1	noname	0.2108
21	H11    -2.7687    -0.8323     1.4484	H	1	noname	0.0259
22	H12    -1.9608     0.6621     1.9795	H	1	noname	0.0259
23	H13    -3.7120     0.6621     1.6607	H	1	noname	0.0259
24	H14    -3.0519    -1.4308    -0.3938	H	1	noname	0.0259
25	H15    -3.6691    -0.3196    -1.6398	H	1	noname	0.0259
26	H16    -1.9530    -0.7920    -1.6398	H	1	noname	0.0259
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	7	8	1
8	7	9	1
9	7	10	1
10	3	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	6	19	1
19	8	20	1
20	9	21	1
21	9	22	1
22	9	23	1
23	10	24	1
24	10	25	1
25	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1