@<TRIPOS>MOLECULE
71587244
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     1.7628    -1.5192     1.4565	P	1	noname	0.0168
2	O1     3.2924    -1.6404     1.5874	O.3	1	noname	-0.2229
3	O2     1.2670    -2.5808     0.6193	O.2	1	noname	-0.2644
4	O3    -0.0560     2.6179    -2.0427	O.3	1	noname	-0.2140
5	O4     0.8070     0.5596    -1.7407	O.2	1	noname	-0.2496
6	N1    -1.9425     1.5234    -0.0998	N.3	1	noname	-0.3194
7	C1     1.3822    -0.0627     0.7809	C.3	1	noname	0.0318
8	C2    -0.1375     0.0577     0.6509	C.3	1	noname	-0.0175
9	C3    -0.4903     1.4083     0.0245	C.3	1	noname	0.0919
10	C4     1.0724    -1.6294     2.9511	C.3	1	noname	0.0185
11	C5     0.1205     1.5058    -1.2980	C.2	1	noname	0.1437
12	H1     1.8383     0.0101    -0.2064	H	1	noname	0.0394
13	H2     1.7575     0.7409     1.4146	H	1	noname	0.0394
14	H3    -0.5127    -0.7458     0.0172	H	1	noname	0.0295
15	H4    -0.5935    -0.0151     1.6382	H	1	noname	0.0295
16	H5    -0.1150     2.2119     0.6582	H	1	noname	0.0571
17	H6     1.3238    -2.5915     3.3974	H	1	noname	0.0356
18	H7    -0.0102    -1.5436     2.8585	H	1	noname	0.0356
19	H8     1.4477    -0.8258     3.5848	H	1	noname	0.0356
20	H9    -2.1781     2.4255    -0.5182	H	1	noname	0.1191
21	H10    -2.2943     0.7699    -0.6939	H	1	noname	0.1191
22	H11     0.6381     2.8998    -2.6745	H	1	noname	0.2213
23	H12     3.7024    -1.5749     0.6997	H	1	noname	0.2237
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	7	1
4	1	10	1
5	2	23	1
6	4	11	1
7	4	22	1
8	5	11	2
9	9	6	1
10	6	20	1
11	6	21	1
12	7	8	1
13	7	12	1
14	7	13	1
15	8	9	1
16	8	14	1
17	8	15	1
18	9	11	1
19	9	16	1
20	10	17	1
21	10	18	1
22	10	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1