@<TRIPOS>MOLECULE
DB01746
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5796    -2.3841     0.2787	O.2	1	noname	-0.2496
2	C1     1.7664    -1.1600     0.4493	C.2	1	noname	0.1437
3	O2     2.6676    -0.7351     1.3602	O.3	1	noname	-0.2140
4	C2     1.0098    -0.1896    -0.3366	C.3	1	noname	0.0915
5	N1     1.9340     0.6358    -1.1125	N.3	1	noname	-0.3194
6	C3     0.1944     0.7022     0.6019	C.3	1	noname	-0.0260
7	C4    -0.5984     1.7190    -0.2217	C.3	1	noname	-0.0451
8	C5    -1.4137     2.6108     0.7168	C.3	1	noname	-0.0627
9	C6    -1.5431     0.9803    -1.1718	C.3	1	noname	-0.0627
10	H1     2.3288    -0.8948     2.2441	H	1	noname	0.2213
11	H2     0.3747    -0.7377    -1.0327	H	1	noname	0.0571
12	H3     2.8358     0.2685    -1.3805	H	1	noname	0.1191
13	H4     1.6705     1.5733    -1.3805	H	1	noname	0.1191
14	H5    -0.5348     0.0581     1.0933	H	1	noname	0.0290
15	H6     0.9098     1.2691     1.1977	H	1	noname	0.0290
16	H7     0.0906     2.3344    -0.8002	H	1	noname	0.0298
17	H8    -1.1820     2.3574     1.7513	H	1	noname	0.0233
18	H9    -1.1632     3.6557     0.5339	H	1	noname	0.0233
19	H10    -2.4769     2.4547     0.5339	H	1	noname	0.0233
20	H11    -2.2701     0.4117    -0.5920	H	1	noname	0.0233
21	H12    -2.0643     1.7025    -1.8002	H	1	noname	0.0233
22	H13    -0.9678     0.3003    -1.8002	H	1	noname	0.0233
@<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	7	8	1
8	7	9	1
9	3	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	8	17	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1