@<TRIPOS>MOLECULE
DB01896
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7642    -1.0152     1.7985	O.3	1	noname	-0.2910
2	B1    -0.9562    -1.1819     0.5100	B	1	noname	0.1138
3	O2    -1.9109    -1.3924    -0.6669	O.3	1	noname	-0.2910
4	C1    -0.0954     0.1073     0.2616	C.2	1	noname	-0.0373
5	C2     1.2899     0.0155     0.1932	C.2	1	noname	-0.0369
6	C3    -0.7186     1.3405     0.1099	C.2	1	noname	-0.0583
7	C4     2.0520     1.1570    -0.0268	C.2	1	noname	-0.0243
8	C5     0.0436     2.4820    -0.1101	C.2	1	noname	-0.0528
9	N1     3.3875     1.0685    -0.0926	N.3	1	noname	-0.1552
10	C6     1.4289     2.3902    -0.1784	C.2	1	noname	-0.0472
11	H1    -1.9856    -1.8800     2.1516	H	1	noname	0.1901
12	H2    -2.0321    -2.3329    -0.8164	H	1	noname	0.1901
13	H3     1.7785    -0.9515     0.3121	H	1	noname	0.0635
14	H4    -1.8049     1.4125     0.1635	H	1	noname	0.0618
15	H5    -0.4451     3.4490    -0.2290	H	1	noname	0.0623
16	H6     3.8329     0.1624    -0.1175	H	1	noname	0.1242
17	H7     3.9486     1.9079    -0.1175	H	1	noname	0.1242
18	H8     2.0265     3.2853    -0.3509	H	1	noname	0.0639
@<TRIPOS>BOND
1	1	2	1
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	1
9	7	10	2
10	8	10	1
11	1	11	1
12	3	12	1
13	5	13	1
14	6	14	1
15	8	15	1
16	9	16	1
17	9	17	1
18	10	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1