@<TRIPOS>MOLECULE
87402949
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -1.9292     1.0113    -0.1883	P	1	noname	0.0141
2	O1    -2.7197     0.8091    -1.4944	O.3	1	noname	-0.1946
3	O2    -2.0048     2.4904     0.2337	O.3	1	noname	-0.1946
4	O3    -2.4951     0.1869     0.8479	O.2	1	noname	-0.2307
5	C1     0.4328     0.7887     0.8690	C.3	1	noname	-0.0402
6	C2     1.8947     0.3960     0.6463	C.3	1	noname	-0.0527
7	C3    -0.3526     0.5878    -0.4285	C.3	1	noname	0.0549
8	C4     2.6801     0.5969     1.9438	C.3	1	noname	-0.0561
9	C5     4.1420     0.2042     1.7211	C.3	1	noname	-0.0654
10	H1     0.0044     0.1647     1.6534	H	1	noname	0.0275
11	H2     0.3793     1.8356     1.1677	H	1	noname	0.0275
12	H3     1.9482    -0.6509     0.3475	H	1	noname	0.0267
13	H4     2.3230     1.0200    -0.1381	H	1	noname	0.0267
14	H5    -0.2991    -0.4591    -0.7273	H	1	noname	0.0417
15	H6     0.0757     1.2118    -1.2129	H	1	noname	0.0417
16	H7     2.2517    -0.0271     2.7282	H	1	noname	0.0264
17	H8     2.6266     1.6438     2.2426	H	1	noname	0.0264
18	H9     4.7015     0.3473     2.6455	H	1	noname	0.0230
19	H10     4.1955    -0.8427     1.4223	H	1	noname	0.0230
20	H11     4.5704     0.8282     0.9367	H	1	noname	0.0230
21	H12    -3.6561     1.0606    -1.3517	H	1	noname	0.2259
22	H13    -2.9412     2.7419     0.3764	H	1	noname	0.2259
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	2
4	1	7	1
5	2	21	1
6	3	22	1
7	5	6	1
8	5	7	1
9	5	10	1
10	5	11	1
11	6	8	1
12	6	12	1
13	6	13	1
14	7	14	1
15	7	15	1
16	8	9	1
17	8	16	1
18	8	17	1
19	9	18	1
20	9	19	1
21	9	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1