@<TRIPOS>MOLECULE
DB01963
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.8094    -3.2159     1.9548	O.3	1	noname	-0.2911
2	B1    -2.8538    -2.2988     0.7309	B	1	noname	0.1775
3	O2    -4.0216    -1.3199     0.8692	O.3	1	noname	-0.2911
4	C1    -1.4480    -1.4611     0.6242	C.3	1	noname	-0.0136
5	C2    -1.4924    -0.5440    -0.5997	C.3	1	noname	0.0042
6	C3    -0.2409     0.2018    -0.6947	C.2	1	noname	-0.0582
7	C4     0.8268    -0.3211    -1.4149	C.2	1	noname	-0.0655
8	C5    -0.1170     1.4348    -0.0649	C.2	1	noname	-0.0655
9	C6     2.0183     0.3889    -1.5053	C.2	1	noname	-0.0636
10	C7     1.0745     2.1448    -0.1553	C.2	1	noname	-0.0636
11	C8     2.1422     1.6219    -0.8756	C.2	1	noname	-0.0698
12	H1    -2.8198    -4.1322     1.6686	H	1	noname	0.1897
13	H2    -4.2031    -1.1678     1.7996	H	1	noname	0.1897
14	H3    -1.3867    -0.7962     1.4858	H	1	noname	0.0236
15	H4    -0.6466    -2.1731     0.4272	H	1	noname	0.0236
16	H5    -1.5313    -1.1784    -1.4852	H	1	noname	0.0310
17	H6    -2.2714     0.1985    -0.4266	H	1	noname	0.0310
18	H7     0.7297    -1.2879    -1.9087	H	1	noname	0.0625
19	H8    -0.9543     1.8448     0.4999	H	1	noname	0.0625
20	H9     2.8556    -0.0211    -2.0701	H	1	noname	0.0622
21	H10     1.1716     3.1116     0.3385	H	1	noname	0.0622
22	H11     3.0766     2.1787    -0.9465	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	1	12	1
13	3	13	1
14	4	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	10	21	1
22	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1