@<TRIPOS>MOLECULE
DB02797
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0721     1.7210    -1.2204	O.2	1	noname	-0.1448
2	N1    -1.0850     0.9678    -0.3317	N.2	1	noname	-0.0146
3	O2    -2.1500     0.7833     0.3256	O.3	1	noname	-0.1448
4	C1    -0.0009     0.3145    -0.0142	C.2	1	noname	0.0474
5	C2     1.2460     0.8858    -0.2398	C.2	1	noname	0.0583
6	C3    -0.0930    -0.9527     0.5496	C.2	1	noname	0.0482
7	C4     2.4008     0.1899     0.0983	C.2	1	noname	-0.0049
8	C5     1.0617    -1.6486     0.8877	C.2	1	noname	-0.0204
9	C6     2.3086    -1.0773     0.6621	C.2	1	noname	0.0070
10	B1     3.8092     0.8351    -0.1565	B	1	noname	0.1171
11	O3     3.9754     1.1235    -1.6499	O.3	1	noname	-0.2909
12	O4     3.9214     2.1422     0.6309	O.3	1	noname	-0.2909
13	H1     1.3183     1.8795    -0.6819	H	1	noname	0.0643
14	H2    -1.0708    -1.4007     0.7265	H	1	noname	0.0647
15	H3     0.9895    -2.6423     1.3298	H	1	noname	0.0623
16	H4     3.2142    -1.6230     0.9272	H	1	noname	0.0618
17	H5     4.0290     0.2950    -2.1318	H	1	noname	0.1901
18	H6     3.9050     1.9514     1.5716	H	1	noname	0.1901
@<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	7	10	1
10	8	9	1
11	10	11	1
12	10	12	1
13	5	13	1
14	6	14	1
15	8	15	1
16	9	16	1
17	11	17	1
18	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1