@<TRIPOS>MOLECULE
DB07411
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.5945    -2.9634     0.7311	O.3	1	noname	-0.2869
2	B1    -2.7176    -2.1814    -0.2489	B	1	noname	0.1890
3	O2    -2.0951    -3.1475    -1.2589	O.3	1	noname	-0.2869
4	C1    -1.5277    -1.4118     0.5765	C.3	1	noname	0.0438
5	N1    -2.1225    -0.4887     1.5416	N.3	1	noname	-0.3293
6	C2    -0.6508    -0.6298    -0.4035	C.3	1	noname	0.0135
7	C3     0.4086     0.0553     0.3313	C.2	1	noname	-0.0570
8	C4     1.6251    -0.5802     0.5510	C.2	1	noname	-0.0637
9	C5     0.2006     1.3432     0.8112	C.2	1	noname	-0.0637
10	C6     2.6337     0.0721     1.2505	C.2	1	noname	-0.0630
11	C7     1.2092     1.9955     1.5107	C.2	1	noname	-0.0630
12	C8     2.4257     1.3599     1.7304	C.2	1	noname	-0.0683
13	H1    -3.3452    -2.7411     1.6312	H	1	noname	0.1898
14	H2    -1.6413    -3.8518    -0.7903	H	1	noname	0.1898
15	H3    -0.8896    -2.0692     1.1670	H	1	noname	0.0431
16	H4    -1.5927     0.3039     1.8750	H	1	noname	0.1181
17	H5    -3.0632    -0.6436     1.8750	H	1	noname	0.1181
18	H6    -0.1498    -1.3534    -1.0466	H	1	noname	0.0326
19	H7    -1.2669     0.1549    -0.8426	H	1	noname	0.0326
20	H8     1.7882    -1.5901     0.1747	H	1	noname	0.0625
21	H9    -0.7533     1.8416     0.6389	H	1	noname	0.0625
22	H10     3.5876    -0.4263     1.4228	H	1	noname	0.0622
23	H11     1.0461     3.0054     1.8870	H	1	noname	0.0622
24	H12     3.2166     1.8714     2.2790	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	1	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	6	18	1
19	6	19	1
20	8	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1