@<TRIPOS>MOLECULE
DB02978
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2882     0.7875     1.3027	O.2	1	noname	-0.2488
2	C1     1.9036    -0.2303     0.6872	C.2	1	noname	0.1450
3	O2     2.1912    -1.4586     1.1678	O.3	1	noname	-0.2133
4	C2     1.1434    -0.0906    -0.5515	C.3	1	noname	0.1177
5	N1     1.8691    -0.7363    -1.6441	N.3	1	noname	-0.3172
6	C3    -0.2259    -0.7530    -0.3870	C.3	1	noname	0.0811
7	O3    -0.9307    -0.1258     0.6743	O.3	1	noname	-0.3905
8	C4    -1.0225    -0.6066    -1.6850	C.3	1	noname	-0.0188
9	C5    -2.3918    -1.2690    -1.5205	C.3	1	noname	-0.0602
10	C6    -1.2092     0.8781    -2.0041	C.3	1	noname	-0.0602
11	H1     2.1859    -1.4360     2.1275	H	1	noname	0.2213
12	H2     1.0579     0.9719    -0.7793	H	1	noname	0.0599
13	H3     1.3912    -0.9594    -2.5054	H	1	noname	0.1192
14	H4     2.8484    -0.9594    -1.5376	H	1	noname	0.1192
15	H5    -0.1296    -1.7987    -0.0948	H	1	noname	0.0625
16	H6    -1.3107    -0.7964     1.2464	H	1	noname	0.2105
17	H7    -0.4814    -1.0881    -2.4996	H	1	noname	0.0324
18	H8    -2.6175    -1.3782    -0.4597	H	1	noname	0.0234
19	H9    -3.1543    -0.6493    -1.9923	H	1	noname	0.0234
20	H10    -2.3791    -2.2516    -1.9923	H	1	noname	0.0234
21	H11    -1.2803     1.4433    -1.0748	H	1	noname	0.0234
22	H12    -0.3571     1.2354    -2.5824	H	1	noname	0.0234
23	H13    -2.1232     1.0132    -2.5824	H	1	noname	0.0234
@<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	1
7	6	8	1
8	8	9	1
9	8	10	1
10	3	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	6	15	1
15	7	16	1
16	8	17	1
17	9	18	1
18	9	19	1
19	9	20	1
20	10	21	1
21	10	22	1
22	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1