@<TRIPOS>MOLECULE
DB00988
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7770    -0.9734     0.2742	O.3	1	noname	-0.2762
2	C1     0.0027     0.1093     0.0689	C.2	1	noname	0.0205
3	C2     1.3851    -0.0282     0.0237	C.2	1	noname	0.0147
4	C3    -0.5769     1.3617    -0.0974	C.2	1	noname	-0.0263
5	O2     1.9481    -1.2446     0.1852	O.3	1	noname	-0.2773
6	C4     2.1880     1.0866    -0.1877	C.2	1	noname	-0.0257
7	C5     0.2259     2.4766    -0.3088	C.2	1	noname	-0.0599
8	C6     1.6083     2.3390    -0.3540	C.2	1	noname	-0.0662
9	C7    -0.3829     3.7920    -0.4835	C.3	1	noname	0.0125
10	C8    -0.5271     4.4723     0.8794	C.3	1	noname	-0.0036
11	N1    -1.1368     5.7895     0.7045	N.3	1	noname	-0.3301
12	H1    -0.8814    -1.1184     1.2175	H	1	noname	0.2183
13	H2    -1.6610     1.4696    -0.0620	H	1	noname	0.0653
14	H3     2.0361    -1.4346     1.1221	H	1	noname	0.2183
15	H4     3.2720     0.9787    -0.2231	H	1	noname	0.0651
16	H5     2.2379     3.2132    -0.5198	H	1	noname	0.0626
17	H6     0.3273     4.3756    -1.0692	H	1	noname	0.0329
18	H7    -1.3863     3.6093    -0.8680	H	1	noname	0.0329
19	H8    -1.2371     3.8882     1.4649	H	1	noname	0.0428
20	H9     0.4765     4.6546     1.2637	H	1	noname	0.0428
21	H10    -0.5535     6.6119     0.6440	H	1	noname	0.1184
22	H11    -2.1411     5.8772     0.6440	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	6	8	2
8	7	9	1
9	7	8	1
10	9	10	1
11	10	11	1
12	1	12	1
13	4	13	1
14	5	14	1
15	6	15	1
16	8	16	1
17	9	17	1
18	9	18	1
19	10	19	1
20	10	20	1
21	11	21	1
22	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1