@<TRIPOS>MOLECULE
DB04051
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -6.3044    -2.3575     2.0546	O.2	1	noname	-0.2559
2	C1    -5.1943    -2.5663     1.5193	C.2	1	noname	0.1348
3	O2    -4.8426    -3.8196     1.1612	O.3	1	noname	-0.2189
4	C2    -4.2779    -1.4549     1.2814	C.3	1	noname	0.0335
5	C3    -3.0013    -1.9789     0.6207	C.3	1	noname	-0.0436
6	C4    -2.0410    -0.8142     0.3714	C.3	1	noname	-0.0487
7	C5    -0.7644    -1.3382    -0.2893	C.3	1	noname	0.0053
8	C6     0.1520    -0.2267    -0.5272	C.2	1	noname	-0.0579
9	C7     1.0792     0.1299     0.4451	C.2	1	noname	-0.0653
10	C8     0.0972     0.4748    -1.7259	C.2	1	noname	-0.0653
11	C9     1.9516     1.1880     0.2186	C.2	1	noname	-0.0635
12	C10     0.9696     1.5329    -1.9524	C.2	1	noname	-0.0635
13	C11     1.8968     1.8896    -0.9802	C.2	1	noname	-0.0696
14	H1    -4.6944    -4.3478     1.9489	H	1	noname	0.2213
15	H2    -4.7766    -0.8036     0.5636	H	1	noname	0.0372
16	H3    -4.0066    -1.0741     2.2660	H	1	noname	0.0372
17	H4    -2.5187    -2.6351     1.3450	H	1	noname	0.0272
18	H5    -3.2887    -2.3646    -0.3574	H	1	noname	0.0272
19	H6    -2.5236    -0.1580    -0.3529	H	1	noname	0.0270
20	H7    -1.7536    -0.4284     1.3495	H	1	noname	0.0270
21	H8    -0.2657    -1.9895     0.4285	H	1	noname	0.0316
22	H9    -1.0357    -1.7190    -1.2739	H	1	noname	0.0316
23	H10     1.1221    -0.4202     1.3851	H	1	noname	0.0625
24	H11    -0.6299     0.1951    -2.4883	H	1	noname	0.0625
25	H12     2.6786     1.4677     0.9810	H	1	noname	0.0622
26	H13     0.9267     2.0831    -2.8924	H	1	noname	0.0622
27	H14     2.5809     2.7194    -1.1578	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	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	3	14	1
15	4	15	1
16	4	16	1
17	5	17	1
18	5	18	1
19	6	19	1
20	6	20	1
21	7	21	1
22	7	22	1
23	9	23	1
24	10	24	1
25	11	25	1
26	12	26	1
27	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1