@<TRIPOS>MOLECULE
DB01699
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6752    -0.2418     0.0000	O.2	1	noname	-0.2558
2	C1     2.4371    -0.4139     0.0000	C.2	1	noname	0.1350
3	O2     1.9294    -1.6648     0.0000	O.3	1	noname	-0.2188
4	C2     1.5400     0.7380     0.0000	C.3	1	noname	0.0384
5	C3     0.0886     0.2540     0.0000	C.3	1	noname	-0.0091
6	C4    -0.7901     1.3822     0.0000	C.2	1	noname	-0.1425
7	N1    -2.0876     1.2019     0.0000	N.3	1	noname	-0.1793
8	C5    -0.2900     2.6146     0.0000	C.2	1	noname	-0.0735
9	C6     1.1264     2.8115     0.0000	C.3	1	noname	-0.0455
10	H1     1.8091    -1.9613     0.9051	H	1	noname	0.2213
11	H2     1.7149     1.2542     0.9440	H	1	noname	0.0376
12	H3     1.7149     1.2542    -0.9440	H	1	noname	0.0376
13	H4    -0.0939    -0.2595    -0.9440	H	1	noname	0.0331
14	H5    -0.0939    -0.2595     0.9440	H	1	noname	0.0331
15	H6    -2.7082     1.9988     0.0000	H	1	noname	0.1239
16	H7    -2.4674     0.2661     0.0000	H	1	noname	0.1239
17	H8    -1.0123     3.4310     0.0000	H	1	noname	0.0585
18	H9     1.4863     2.8615     1.0277	H	1	noname	0.0274
19	H10     1.6088     1.9800    -0.5138	H	1	noname	0.0274
20	H11     1.3638     3.7430    -0.5138	H	1	noname	0.0274
@<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	6	8	2
8	8	9	1
9	3	10	1
10	4	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	7	15	1
15	7	16	1
16	8	17	1
17	9	18	1
18	9	19	1
19	9	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1