@<TRIPOS>MOLECULE
DB03759
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9865     0.3581     0.3832	O.2	1	noname	-0.1412
2	N1     3.3828     1.2075    -0.1377	N.2	1	noname	0.0050
3	O2     3.9915     2.1353    -0.7450	O.3	1	noname	-0.1412
4	C1     2.0785     1.2018    -0.0947	C.2	1	noname	0.1157
5	C2     1.3769     2.4014    -0.1219	C.2	1	noname	0.1157
6	C3     1.3908    -0.0040    -0.0217	C.2	1	noname	0.0789
7	N2     2.0226     3.5335    -0.1904	N.2	1	noname	0.0050
8	C4    -0.0123     2.3953    -0.0761	C.2	1	noname	0.0789
9	C5     0.0016    -0.0101     0.0241	C.2	1	noname	0.0559
10	O3     1.5685     4.4930     0.2895	O.2	1	noname	-0.1412
11	O4     3.1415     3.5889    -0.7779	O.3	1	noname	-0.1412
12	C6    -0.7000     1.1895    -0.0031	C.2	1	noname	0.0559
13	N3    -0.6613    -1.1725     0.0944	N.3	1	noname	-0.1080
14	N4    -2.0392     1.1837     0.0411	N.3	1	noname	-0.1080
15	C7    -2.0006    -1.1784     0.1386	C.2	1	noname	0.1749
16	C8    -2.7022     0.0213     0.1114	C.2	1	noname	0.1749
17	O5    -2.6190    -2.2627     0.2042	O.2	1	noname	-0.2442
18	O6    -3.9515     0.0158     0.1526	O.2	1	noname	-0.2442
19	H1     1.9410    -0.9447    -0.0004	H	1	noname	0.0665
20	H2    -0.5624     3.3361    -0.0974	H	1	noname	0.0665
21	H3    -0.1516    -2.0442     0.1142	H	1	noname	0.1376
22	H4    -2.5490     2.0554     0.0213	H	1	noname	0.1376
@<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	5	8	1
8	6	9	2
9	7	10	2
10	7	11	1
11	8	12	2
12	9	13	1
13	9	12	1
14	12	14	1
15	13	15	1
16	14	16	1
17	15	17	2
18	15	16	1
19	16	18	2
20	6	19	1
21	8	20	1
22	13	21	1
23	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1