@<TRIPOS>MOLECULE
DB03945
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     1.3089    -1.3274     1.8222	P	1	noname	0.0159
2	O1     2.7051    -1.6414     1.9820	O.2	1	noname	-0.1964
3	O2     1.1533    -0.1845     0.8018	O.3	1	noname	-0.1498
4	O3     0.7230    -0.8890     3.1772	O.3	1	noname	-0.1644
5	O4     0.5572    -2.5728     1.3167	O.3	1	noname	-0.1644
6	C1    -0.2235     0.1252     0.6442	C.3	1	noname	0.1103
7	C2    -0.3780     1.2606    -0.3697	C.3	1	noname	0.0147
8	N1    -1.7956     1.5794    -0.5319	N.4	1	noname	0.0080
9	C3    -1.9432     2.6644    -1.5007	C.3	1	noname	-0.0214
10	C4    -2.3518     1.9957     0.7545	C.3	1	noname	-0.0214
11	C5    -2.5092     0.3971    -1.0118	C.3	1	noname	-0.0214
12	H1     0.4989    -1.6655     3.6953	H	1	noname	0.2283
13	H2     0.2475    -3.0859     2.0666	H	1	noname	0.2283
14	H3    -0.6763    -0.7707     0.2194	H	1	noname	0.0645
15	H4    -0.5518     0.4934     1.6161	H	1	noname	0.0645
16	H5     0.0825     2.1501     0.0602	H	1	noname	0.0965
17	H6    -0.0420     0.8860    -1.3366	H	1	noname	0.0965
18	H7    -2.0718     3.6088    -0.9718	H	1	noname	0.0902
19	H8    -1.0522     2.7167    -2.1263	H	1	noname	0.0902
20	H9    -2.8159     2.4766    -2.1263	H	1	noname	0.0902
21	H10    -2.6062     1.1140     1.3427	H	1	noname	0.0902
22	H11    -1.6151     2.5917     1.2931	H	1	noname	0.0902
23	H12    -3.2489     2.5917     0.5866	H	1	noname	0.0902
24	H13    -2.8609    -0.1855    -0.1604	H	1	noname	0.0902
25	H14    -3.3613     0.7076    -1.6165	H	1	noname	0.0902
26	H15    -1.8374    -0.2122    -1.6165	H	1	noname	0.0902
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	8	10	1
10	8	11	1
11	4	12	1
12	5	13	1
13	6	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	9	18	1
18	9	19	1
19	9	20	1
20	10	21	1
21	10	22	1
22	10	23	1
23	11	24	1
24	11	25	1
25	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1