@<TRIPOS>MOLECULE
DB03390
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2958    -2.9459    -0.1732	O.2	1	noname	-0.2442
2	C1     3.0199    -1.7275    -0.2172	C.2	1	noname	0.1515
3	O2     3.9525    -0.8116     0.1200	O.3	1	noname	-0.2098
4	C2     1.6890    -1.2950    -0.6334	C.3	1	noname	0.1729
5	O3     1.7971    -0.4747    -1.7874	O.3	1	noname	-0.3795
6	C3     1.0341    -0.5000     0.4980	C.3	1	noname	0.1530
7	O4     1.8289     0.6376     0.7988	O.3	1	noname	-0.3812
8	C4    -0.2695    -0.0764     0.0904	C.2	1	noname	0.0338
9	O5    -0.4260     1.0843    -0.5184	O.3	1	noname	-0.2569
10	N1    -1.2806    -0.8199     0.3149	N.2	1	noname	-0.2199
11	C5    -2.5341    -0.4126    -0.0770	C.3	1	noname	0.0413
12	C6    -3.5607    -1.4796     0.3084	C.3	1	noname	-0.0363
13	C7    -4.9555    -1.0263    -0.1278	C.3	1	noname	-0.0636
14	H1     4.0123    -0.7529     1.0764	H	1	noname	0.2214
15	H2     1.1086    -2.1705    -0.9246	H	1	noname	0.0743
16	H3     1.8703    -1.0285    -2.5680	H	1	noname	0.2113
17	H4     0.9252    -1.0707     1.4202	H	1	noname	0.0724
18	H5     1.8982     0.7368     1.7511	H	1	noname	0.2112
19	H6    -0.5197     1.7794     0.1372	H	1	noname	0.2196
20	H7    -2.7319     0.4865     0.5066	H	1	noname	0.0515
21	H8    -2.4832    -0.3563    -1.1644	H	1	noname	0.0515
22	H9    -3.3229    -2.3699    -0.2737	H	1	noname	0.0282
23	H10    -3.5715    -1.5271     1.3973	H	1	noname	0.0282
24	H11    -5.5653    -0.8282     0.7537	H	1	noname	0.0231
25	H12    -4.8723    -0.1176    -0.7238	H	1	noname	0.0231
26	H13    -5.4224    -1.8104    -0.7238	H	1	noname	0.0231
@<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	2
10	10	11	1
11	11	12	1
12	12	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	6	17	1
17	7	18	1
18	9	19	1
19	11	20	1
20	11	21	1
21	12	22	1
22	12	23	1
23	13	24	1
24	13	25	1
25	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1