@<TRIPOS>MOLECULE
90479462
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.0553    -0.3665     0.3991	P	1	noname	0.0305
2	O1    -0.5267    -0.4269     0.2223	O.3	1	noname	-0.1085
3	O2    -0.2573     1.1844    -1.9774	O.3	1	noname	-0.2650
4	O3    -2.3896     0.2511     1.7697	O.3	1	noname	-0.1623
5	O4    -2.6377    -1.7900     0.3217	O.3	1	noname	-0.1623
6	O5    -2.6276     0.4436    -0.6449	O.2	1	noname	-0.1932
7	C1    -0.2337    -0.9683    -0.9792	C.2	1	noname	0.0343
8	C2    -0.0970    -0.1508    -2.0951	C.2	1	noname	0.0444
9	C3    -0.0686    -2.3431    -1.1004	C.2	1	noname	-0.0041
10	C4     0.2047    -0.7082    -3.3322	C.2	1	noname	-0.0182
11	C5     0.2331    -2.9005    -2.3375	C.2	1	noname	-0.0597
12	C6     0.3697    -2.0831    -3.4534	C.2	1	noname	-0.0501
13	C7     0.9933     1.7867    -1.6778	C.3	1	noname	0.0424
14	H1    -0.1689    -2.9429    -0.2815	H	1	noname	0.0651
15	H2     0.3049    -0.1084    -4.1510	H	1	noname	0.0651
16	H3     0.3542    -3.9094    -2.4264	H	1	noname	0.0623
17	H4     0.5911    -2.4921    -4.3611	H	1	noname	0.0623
18	H5     0.8638     2.8648    -1.5828	H	1	noname	0.0535
19	H6     1.3759     1.3827    -0.7406	H	1	noname	0.0535
20	H7     1.7000     1.5750    -2.4802	H	1	noname	0.0535
21	H8    -3.6104    -1.7516     0.4342	H	1	noname	0.2283
22	H9    -2.0001    -0.3003     2.4801	H	1	noname	0.2283
@<TRIPOS>BOND
1	1	2	1
2	1	4	1
3	1	5	1
4	1	6	2
5	2	7	1
6	3	8	1
7	3	13	1
8	4	22	1
9	5	21	1
10	7	8	1
11	7	9	2
12	8	10	2
13	9	11	1
14	9	14	1
15	10	12	1
16	10	15	1
17	11	12	2
18	11	16	1
19	12	17	1
20	13	18	1
21	13	19	1
22	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1