@<TRIPOS>MOLECULE
DB03739
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0099    -3.8686    -1.3375	O.2	1	noname	-0.2439
2	C1    -0.0751    -2.6246    -1.2341	C.2	1	noname	0.1518
3	O2    -0.0981    -1.8553    -2.3432	O.3	1	noname	-0.2095
4	C2    -0.1264    -2.0036     0.0863	C.3	1	noname	0.1576
5	O3    -0.0899    -3.0064     1.0910	O.3	1	noname	-0.3788
6	C3    -1.5042    -1.3234     0.2839	C.3	1	noname	0.0295
7	C4     1.1668    -1.1876     0.3231	C.3	1	noname	0.0151
8	C5    -1.5970     0.1617     0.7150	C.2	1	noname	0.0823
9	C6     1.0819     0.2965     0.7539	C.3	1	noname	0.0887
10	N1    -2.7348     0.7142     0.8755	N.2	1	noname	-0.2029
11	C7    -0.2981     0.9693     0.9494	C.3	1	noname	0.1205
12	O4     1.8754     1.0885    -0.1175	O.3	1	noname	-0.3898
13	O5    -3.7936     0.0493     0.6826	O.3	1	noname	-0.2102
14	O6    -0.3477     1.5850     2.2280	O.3	1	noname	-0.3842
15	H1    -0.1143    -2.4167    -3.1217	H	1	noname	0.2214
16	H2    -0.1049    -3.8732     0.6786	H	1	noname	0.2116
17	H3    -1.9608    -1.3462    -0.7056	H	1	noname	0.0365
18	H4    -1.9606    -1.8726     1.1075	H	1	noname	0.0365
19	H5     1.6534    -1.6866     1.1611	H	1	noname	0.0329
20	H6     1.6532    -1.1602    -0.6520	H	1	noname	0.0329
21	H7     1.5317     0.3138     1.7466	H	1	noname	0.0632
22	H8    -0.3265     1.7469     0.1861	H	1	noname	0.0693
23	H9     2.4474     1.6594     0.4007	H	1	noname	0.2105
24	H10    -4.1783    -0.1922     1.5283	H	1	noname	0.2481
25	H11    -0.3741     0.9081     2.9083	H	1	noname	0.2111
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	6	8	1
8	7	9	1
9	8	10	2
10	8	11	1
11	9	12	1
12	9	11	1
13	10	13	1
14	11	14	1
15	3	15	1
16	5	16	1
17	6	17	1
18	6	18	1
19	7	19	1
20	7	20	1
21	9	21	1
22	11	22	1
23	12	23	1
24	13	24	1
25	14	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1