@<TRIPOS>MOLECULE
DB02172
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4239    -0.3228    -1.4222	O.3	1	noname	-0.3885
2	C1    -0.0138     0.1285    -0.1408	C.3	1	noname	0.0991
3	C2    -0.6160     1.4826     0.1732	C.3	1	noname	0.0991
4	C3     1.4754     0.4385    -0.0379	C.3	1	noname	0.0593
5	O2    -1.9698     1.3184     0.5690	O.3	1	noname	-0.3885
6	C4     0.2356     1.8424     1.3990	C.3	1	noname	0.0593
7	N1     1.5800     1.2932     1.1571	N.3	1	noname	-0.3020
8	C5     2.2518    -0.8594     0.1938	C.3	1	noname	0.0612
9	C6     0.3226     3.3643     1.5307	C.3	1	noname	0.0612
10	O3     3.6388    -0.5706     0.2896	O.3	1	noname	-0.3945
11	O4     1.1102     3.6971     2.6645	O.3	1	noname	-0.3945
12	H1    -0.4286    -1.2826    -1.4371	H	1	noname	0.2106
13	H2    -0.3462    -0.7168     0.4618	H	1	noname	0.0645
14	H3    -0.6782     2.2043    -0.6414	H	1	noname	0.0645
15	H4     1.8797     0.9391    -0.9178	H	1	noname	0.0517
16	H5    -2.0244     1.3118     1.5274	H	1	noname	0.2106
17	H6    -0.1643     1.4197     2.3207	H	1	noname	0.0517
18	H7     2.4110     1.4684     1.7037	H	1	noname	0.1231
19	H8     1.9685    -1.2525     1.1701	H	1	noname	0.0580
20	H9     2.1447    -1.4802    -0.6957	H	1	noname	0.0580
21	H10     0.8736     3.7466     0.6715	H	1	noname	0.0580
22	H11    -0.6763     3.7419     1.7496	H	1	noname	0.0580
23	H12     3.8916    -0.5180     1.2142	H	1	noname	0.2100
24	H13     1.4087     2.8922     3.0942	H	1	noname	0.2100
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	7	1
10	8	10	1
11	9	11	1
12	1	12	1
13	2	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	8	20	1
21	9	21	1
22	9	22	1
23	10	23	1
24	11	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1