@<TRIPOS>MOLECULE
DB07103
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.1685    -1.3730    -1.4258	P	1	noname	-0.2071
2	O1    -5.2262    -2.2872    -1.7707	O.2	1	noname	-0.4549
3	O2    -4.2850     0.1161    -1.8007	O.3	1	noname	-0.4549
4	C1    -2.8317    -1.9209    -0.6288	C.3	1	noname	0.0137
5	C2    -1.8697    -0.7563    -0.3857	C.3	1	noname	0.0552
6	O3    -0.7192    -1.2278     0.3001	O.3	1	noname	-0.2764
7	C3     0.1295    -0.2002     0.5146	C.2	1	noname	-0.0094
8	C4     1.1033     0.1055    -0.4290	C.2	1	noname	-0.0327
9	C5     0.0297     0.5523     1.6791	C.2	1	noname	-0.0327
10	C6     1.9773     1.1636    -0.2082	C.2	1	noname	-0.0563
11	C7     0.9036     1.6104     1.8999	C.2	1	noname	-0.0563
12	C8     1.8774     1.9160     0.9563	C.2	1	noname	-0.0699
13	C9     2.7953     3.0274     1.1883	C.3	1	noname	-0.0044
14	H1    -5.3838    -1.5745    -2.0020	H	1	noname	0.0723
15	H2    -3.1415    -2.2534     0.3619	H	1	noname	0.0304
16	H3    -2.2996    -2.6038    -1.2912	H	1	noname	0.0304
17	H4    -1.5090    -0.4086    -1.3538	H	1	noname	0.0570
18	H5    -2.3509    -0.0582     0.2993	H	1	noname	0.0570
19	H6     1.1816    -0.4846    -1.3421	H	1	noname	0.0650
20	H7    -0.7339     0.3126     2.4190	H	1	noname	0.0650
21	H8     2.7409     1.4033    -0.9481	H	1	noname	0.0626
22	H9     0.8253     2.2004     2.8131	H	1	noname	0.0626
23	H10     2.9198     3.1781     2.2606	H	1	noname	0.0279
24	H11     3.7620     2.8002     0.7387	H	1	noname	0.0279
25	H12     2.3896     3.9337     0.7387	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	4	5	1
5	5	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	12	13	1
14	1	14	1
15	4	15	1
16	4	16	1
17	5	17	1
18	5	18	1
19	8	19	1
20	9	20	1
21	10	21	1
22	11	22	1
23	13	23	1
24	13	24	1
25	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1