@<TRIPOS>MOLECULE
DB02308
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2479    -0.0546     0.0050	O.3	1	noname	-0.2356
2	C1     0.3011    -0.5058    -1.2224	C.3	1	noname	0.0566
3	B1     0.4330     1.3127     0.0722	B	1	noname	0.1922
4	C2     0.1369     0.6975    -2.1483	C.3	1	noname	0.0566
5	O2     0.4358     1.8530    -1.3656	O.3	1	noname	-0.2356
6	O3    -0.3851     2.2465     0.9664	O.3	1	noname	-0.2373
7	C3     0.2474     3.5163     1.0288	C.3	1	noname	0.0349
8	C4    -0.5708     4.4501     1.9230	C.3	1	noname	-0.0250
9	C5     0.1107     5.8183     1.9903	C.3	1	noname	-0.0024
10	C6    -0.7075     6.7521     2.8845	C.3	1	noname	-0.0136
11	N1    -0.0563     8.0595     2.9488	N.4	1	noname	-0.0092
12	H1     1.3629    -0.6813    -1.0495	H	1	noname	0.0573
13	H2    -0.3351    -1.3175    -1.5752	H	1	noname	0.0573
14	H3     0.9026     0.6452    -2.9222	H	1	noname	0.0573
15	H4    -0.9140     0.7791    -2.4260	H	1	noname	0.0573
16	H5     1.2073     3.3395     1.5140	H	1	noname	0.0550
17	H6     0.2145     3.9079     0.0121	H	1	noname	0.0550
18	H7    -1.5298     4.6003     1.4272	H	1	noname	0.0292
19	H8    -0.5369     4.0319     2.9290	H	1	noname	0.0292
20	H9     1.0697     5.6682     2.4861	H	1	noname	0.0333
21	H10     0.0768     6.2365     0.9843	H	1	noname	0.0333
22	H11    -1.6672     6.9185     2.3953	H	1	noname	0.0939
23	H12    -0.6743     6.3502     3.8971	H	1	noname	0.0939
24	H13     0.0750     8.3231     3.9149	H	1	noname	0.2554
25	H14     0.8411     8.0117     2.4879	H	1	noname	0.2554
26	H15    -0.6352     8.7470     2.4879	H	1	noname	0.2554
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	5	1
7	6	7	1
8	7	8	1
9	8	9	1
10	9	10	1
11	10	11	1
12	2	12	1
13	2	13	1
14	4	14	1
15	4	15	1
16	7	16	1
17	7	17	1
18	8	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	10	22	1
23	10	23	1
24	11	24	1
25	11	25	1
26	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1