@<TRIPOS>MOLECULE
DB04782
19 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3112    -1.3351     4.1274	O.2	1	noname	-0.1448
2	N1     2.3184    -1.8672     3.8300	N.2	1	noname	-0.0156
3	O2     2.0889    -3.0460     4.2276	O.3	1	noname	-0.1448
4	C1     1.4430    -1.2472     3.0869	C.2	1	noname	0.0354
5	C2     1.3339     0.1371     3.1499	C.2	1	noname	0.0298
6	C3     0.6198    -1.9711     2.2322	C.2	1	noname	0.0298
7	C4     0.4015     0.7975     2.3583	C.2	1	noname	-0.0203
8	C5    -0.3126    -1.3107     1.4407	C.2	1	noname	-0.0203
9	C6    -0.4217     0.0736     1.5037	C.2	1	noname	-0.0077
10	C7    -1.4011     0.7673     0.6722	C.3	1	noname	0.1061
11	O3    -2.6286     0.8760     1.3777	O.3	1	noname	-0.3679
12	C8    -2.5900    -0.1580     0.4052	C.3	1	noname	0.0781
13	H1     1.9795     0.7047     3.8201	H	1	noname	0.0647
14	H2     0.7054    -3.0566     2.1828	H	1	noname	0.0647
15	H3     0.3159     1.8830     2.4077	H	1	noname	0.0627
16	H4    -0.9582    -1.8783     0.7705	H	1	noname	0.0627
17	H5    -0.7594     1.4416     0.1052	H	1	noname	0.0679
18	H6    -3.1539     0.0311    -0.5083	H	1	noname	0.0597
19	H7    -2.5106    -1.1722     0.7966	H	1	noname	0.0597
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	10	9	1
11	10	11	1
12	10	12	1
13	11	12	1
14	5	13	1
15	6	14	1
16	7	15	1
17	8	16	1
18	10	17	1
19	12	18	1
20	12	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1