@<TRIPOS>MOLECULE
DB02678
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6265     1.8545    -0.0173	O.3	1	noname	-0.3426
2	C1     1.5046     0.4076    -0.2049	C.3	1	noname	0.1727
3	C2     2.1691     2.7013    -1.0816	C.3	1	noname	0.1123
4	O2     0.1553     0.0810    -0.5033	O.3	1	noname	-0.3664
5	C3     2.4411    -0.2293    -1.2729	C.3	1	noname	0.0847
6	C4     2.0977     2.1239    -2.5259	C.3	1	noname	0.1102
7	C5     1.4839     4.0688    -1.0445	C.3	1	noname	0.0722
8	N1     3.7839    -0.3813    -0.7152	N.3	1	noname	-0.3212
9	C6     2.5137     0.6207    -2.5798	C.3	1	noname	0.1026
10	O3     0.7775     2.2680    -3.0285	O.3	1	noname	-0.3874
11	O4     1.7189     4.6820     0.2145	O.3	1	noname	-0.3934
12	O5     1.7897    -0.0341    -3.6111	O.3	1	noname	-0.3884
13	H1     1.7473     0.0045     0.7783	H	1	noname	0.0937
14	H2     3.2221     2.7472    -0.8036	H	1	noname	0.0657
15	H3    -0.3337    -0.0373     0.3143	H	1	noname	0.2133
16	H4     2.0819    -1.2303    -1.5120	H	1	noname	0.0544
17	H5     2.7252     2.7129    -3.1947	H	1	noname	0.0656
18	H6     1.9728     4.7114    -1.7768	H	1	noname	0.0591
19	H7     0.4069     3.9082    -1.0932	H	1	noname	0.0591
20	H8     4.1494    -1.3029    -0.5225	H	1	noname	0.1189
21	H9     4.3461     0.4354    -0.5225	H	1	noname	0.1189
22	H10     3.5655     0.6219    -2.8657	H	1	noname	0.0647
23	H11     0.1615     2.3353    -2.2953	H	1	noname	0.2106
24	H12     1.8436     4.0039     0.8824	H	1	noname	0.2101
25	H13     1.8663    -0.9848    -3.5020	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	6	9	1
11	7	11	1
12	9	12	1
13	2	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1