@<TRIPOS>MOLECULE
DB01880
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3783    -4.1004     0.8321	O.2	1	noname	-0.2623
2	C1    -1.6828    -3.0140     0.2939	C.2	1	noname	0.0912
3	O2    -2.8574    -2.8904    -0.3599	O.3	1	noname	-0.2211
4	C2    -0.8307    -1.9566     0.3670	C.2	1	noname	0.0584
5	C3    -1.1547    -0.8007    -0.2056	C.2	1	noname	-0.0109
6	C4    -0.3026     0.2568    -0.1325	C.2	1	noname	-0.0481
7	C5     1.0683     0.0406    -0.0546	C.2	1	noname	-0.0125
8	C6    -0.8026     1.5537    -0.1357	C.2	1	noname	-0.0524
9	C7     1.9392     1.1214     0.0201	C.2	1	noname	0.0249
10	C8     0.0683     2.6345    -0.0610	C.2	1	noname	-0.0214
11	O3     3.2706     0.9114     0.0958	O.3	1	noname	-0.2758
12	C9     1.4392     2.4183     0.0169	C.2	1	noname	0.0230
13	O4     2.2850     3.4680     0.0895	O.3	1	noname	-0.2764
14	H1    -3.5718    -2.8153     0.2770	H	1	noname	0.2216
15	H2     0.1222    -2.0363     0.8902	H	1	noname	0.0686
16	H3    -2.1075    -0.7209    -0.7288	H	1	noname	0.0631
17	H4     1.4604    -0.9764    -0.0520	H	1	noname	0.0657
18	H5    -1.8776     1.7232    -0.1968	H	1	noname	0.0629
19	H6    -0.3238     3.6515    -0.0635	H	1	noname	0.0651
20	H7     3.5361     0.8696     1.0174	H	1	noname	0.2183
21	H8     2.4550     3.6790     1.0105	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	5	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	1
11	9	12	2
12	10	12	1
13	12	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	7	17	1
18	8	18	1
19	10	19	1
20	11	20	1
21	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1