@<TRIPOS>MOLECULE
DB02233
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.2205    -1.3532     0.9385	O.2	1	noname	-0.2496
2	C1     3.4941    -1.0600    -0.0356	C.2	1	noname	0.1437
3	O2     4.0397    -0.5191    -1.1457	O.3	1	noname	-0.2140
4	C2     2.0558    -1.3024     0.0271	C.3	1	noname	0.0912
5	N1     1.6698    -2.2233    -1.0409	N.3	1	noname	-0.3194
6	C3     1.3075     0.0209    -0.1453	C.3	1	noname	-0.0283
7	C4    -0.1998    -0.2331    -0.0796	C.3	1	noname	-0.0491
8	C5    -0.9481     1.0902    -0.2520	C.3	1	noname	-0.0298
9	C6    -2.4554     0.8361    -0.1863	C.3	1	noname	0.0432
10	O3    -3.1499     2.0644    -0.3463	O.3	1	noname	-0.3962
11	H1     4.3290    -1.2201    -1.7343	H	1	noname	0.2213
12	H2     1.8326    -1.7757     0.9833	H	1	noname	0.0571
13	H3     0.7138    -2.5413    -1.1124	H	1	noname	0.1191
14	H4     2.3590    -2.5413    -1.7071	H	1	noname	0.1191
15	H5     1.5601     0.6398     0.7157	H	1	noname	0.0288
16	H6     1.5232     0.3754    -1.1533	H	1	noname	0.0288
17	H7    -0.4524    -0.8520    -0.9406	H	1	noname	0.0268
18	H8    -0.4155    -0.5876     0.9283	H	1	noname	0.0268
19	H9    -0.6954     1.7090     0.6090	H	1	noname	0.0290
20	H10    -0.7324     1.4446    -1.2600	H	1	noname	0.0290
21	H11    -2.7336     0.2303    -1.0486	H	1	noname	0.0563
22	H12    -2.6967     0.4947     0.8203	H	1	noname	0.0563
23	H13    -3.3566     2.4299     0.5170	H	1	noname	0.2100
@<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	8	9	1
9	9	10	1
10	3	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	6	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	8	19	1
19	8	20	1
20	9	21	1
21	9	22	1
22	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1