@<TRIPOS>MOLECULE
101977026
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -1.7420     3.8936    -1.5974	P.3	1	noname	-0.1733
2	O1     0.3423     3.9699    -2.9941	O.3	1	noname	-0.3829
3	O2    -1.0204     4.5407    -0.4007	O.3	1	noname	-0.2742
4	O3    -2.4091     4.9900    -2.4486	O.3	1	noname	-0.2742
5	C1    -1.3656     2.4276    -3.7082	C.3	1	noname	-0.0027
6	C2    -2.4626     1.4322    -3.1827	C.3	1	noname	-0.0435
7	C3    -0.3193     1.7256    -4.6289	C.3	1	noname	-0.0291
8	C4    -0.6487     3.0705    -2.5193	C.3	1	noname	0.1108
9	C5    -3.1086     0.5858    -4.3264	C.3	1	noname	-0.0346
10	C6    -0.9675     0.8503    -5.6030	C.2	1	noname	-0.0882
11	C7    -2.2081     0.3370    -5.4551	C.2	1	noname	-0.0883
12	H1    -1.8798     3.1665    -4.3228	H	1	noname	0.0339
13	H2    -3.2397     1.9905    -2.6606	H	1	noname	0.0274
14	H3    -1.9551     0.7289    -2.5225	H	1	noname	0.0274
15	H4    -0.1765     2.2945    -1.9168	H	1	noname	0.0709
16	H5     0.2679     2.4800    -5.1526	H	1	noname	0.0313
17	H6     0.3805     1.1127    -4.0610	H	1	noname	0.0313
18	H7    -4.0094     1.0849    -4.6834	H	1	noname	0.0309
19	H8    -3.5000    -0.3589    -3.9488	H	1	noname	0.0309
20	H9    -0.4652     0.6185    -6.4240	H	1	noname	0.0572
21	H10    -2.5380    -0.2599    -6.1726	H	1	noname	0.0572
22	H11    -2.5865     3.1273    -1.1928	H	1	noname	0.1138
23	H12     0.8015     4.3817    -2.2325	H	1	noname	0.2114
24	H13    -1.6697     5.0296     0.1469	H	1	noname	0.2214
25	H14    -3.0584     5.4788    -1.9010	H	1	noname	0.2214
@<TRIPOS>BOND
1	1	3	1
2	1	4	1
3	1	8	1
4	1	22	1
5	2	8	1
6	2	23	1
7	3	24	1
8	4	25	1
9	5	6	1
10	5	7	1
11	5	8	1
12	5	12	1
13	6	9	1
14	6	13	1
15	6	14	1
16	7	10	1
17	7	16	1
18	7	17	1
19	8	15	1
20	9	11	1
21	9	18	1
22	9	19	1
23	10	11	2
24	10	20	1
25	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1