@<TRIPOS>MOLECULE
DB01947
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -1.6799    -1.2010    -0.8343	P	1	noname	0.0297
2	O1    -3.0094    -1.6116    -0.4638	O.2	1	noname	-0.1934
3	O2    -0.8043    -1.0967     0.4282	O.3	1	noname	-0.1097
4	O3    -1.7418     0.1711    -1.5308	O.3	1	noname	-0.1624
5	O4    -1.0717    -2.2382    -1.7966	O.3	1	noname	-0.1624
6	C1     0.4422    -0.7117     0.0809	C.2	1	noname	0.0439
7	C2     1.4046    -1.6668    -0.2251	C.2	1	noname	0.0249
8	C3     0.7631     0.6397     0.0293	C.2	1	noname	-0.0017
9	C4     2.6880    -1.2704    -0.5827	C.2	1	noname	-0.0105
10	C5     1.0906    -2.9891    -0.1746	C.2	1	noname	0.1025
11	C6     2.0465     1.0361    -0.3283	C.2	1	noname	-0.0316
12	C7     3.0089     0.0811    -0.6343	C.2	1	noname	-0.0481
13	O5     1.9354    -3.8273    -0.4432	O.2	1	noname	-0.3003
14	H1    -1.7731     0.8652    -0.8683	H	1	noname	0.2283
15	H2    -0.6592    -2.9415    -1.2899	H	1	noname	0.2283
16	H3     0.0084     1.3887     0.2693	H	1	noname	0.0650
17	H4     3.4427    -2.0193    -0.8227	H	1	noname	0.0631
18	H5     0.1158    -3.3963     0.0938	H	1	noname	0.1099
19	H6     2.2982     2.0959    -0.3688	H	1	noname	0.0623
20	H7     4.0153     0.3919    -0.9148	H	1	noname	0.0622
@<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	2
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	2
11	9	12	2
12	10	13	2
13	11	12	1
14	4	14	1
15	5	15	1
16	8	16	1
17	9	17	1
18	10	18	1
19	11	19	1
20	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1