@<TRIPOS>MOLECULE
DB02068
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2456    -1.6049     0.0000	O.2	1	noname	-0.2559
2	C1     2.0167    -1.3765     0.0000	C.2	1	noname	0.1348
3	O2     1.1394    -2.4026     0.0000	O.3	1	noname	-0.2189
4	C2     1.5300     0.0000     0.0000	C.3	1	noname	0.0337
5	C3     0.0000     0.0000     0.0000	C.3	1	noname	-0.0379
6	C4    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0040
7	C5    -2.0400     1.4425     0.0000	C.3	1	noname	-0.0136
8	N1    -2.5273     2.8209     0.0000	N.4	1	noname	-0.0093
9	H1     0.9315    -2.6458     0.9051	H	1	noname	0.2213
10	H2     1.8592     0.4343     0.9440	H	1	noname	0.0372
11	H3     1.8592     0.4343    -0.9440	H	1	noname	0.0372
12	H4    -0.3147    -0.4450    -0.9440	H	1	noname	0.0274
13	H5    -0.3147    -0.4450     0.9440	H	1	noname	0.0274
14	H6    -0.1953     1.8875     0.9440	H	1	noname	0.0333
15	H7    -0.1953     1.8875    -0.9440	H	1	noname	0.0333
16	H8    -2.3688     1.0078    -0.9440	H	1	noname	0.0939
17	H9    -2.3688     1.0078     0.9440	H	1	noname	0.0939
18	H10    -2.6396     3.1383     0.9522	H	1	noname	0.2554
19	H11    -1.8621     3.4132    -0.4761	H	1	noname	0.2554
20	H12    -3.4171     2.8634    -0.4761	H	1	noname	0.2554
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	3	9	1
9	4	10	1
10	4	11	1
11	5	12	1
12	5	13	1
13	6	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	8	18	1
18	8	19	1
19	8	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1