@<TRIPOS>MOLECULE
DB03347
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -0.4565     0.0158    -0.0844	P	1	noname	0.0230
2	O1     0.8801     0.0602     0.4496	O.2	1	noname	-0.1942
3	O2    -0.4998    -0.9543    -1.2797	O.3	1	noname	-0.1529
4	O3    -0.8699     1.4240    -0.5509	O.3	1	noname	-0.1529
5	O4    -1.4292    -0.4698     1.0063	O.3	1	noname	-0.1529
6	C1    -1.8178    -0.9981    -1.8062	C.3	1	noname	0.0597
7	C2    -0.8300     2.3185     0.5512	C.3	1	noname	0.0597
8	C3    -1.0479    -1.7683     1.4365	C.3	1	noname	0.0597
9	C4    -1.8608    -1.9619    -2.9937	C.3	1	noname	-0.0406
10	C5    -1.2408     3.7175     0.0877	C.3	1	noname	-0.0406
11	C6    -2.0143    -2.2507     2.5202	C.3	1	noname	-0.0406
12	H1    -2.4352    -1.4150    -1.0105	H	1	noname	0.0574
13	H2    -2.0153     0.0068    -2.1796	H	1	noname	0.0574
14	H3    -1.5876     1.9572     1.2466	H	1	noname	0.0574
15	H4     0.2157     2.3573     0.8564	H	1	noname	0.0574
16	H5    -1.1701    -2.4110     0.5647	H	1	noname	0.0574
17	H6    -0.0645    -1.6471     1.8907	H	1	noname	0.0574
18	H7    -1.8476    -2.9889    -2.6288	H	1	noname	0.0254
19	H8    -2.7722    -1.7917    -3.5670	H	1	noname	0.0254
20	H9    -0.9934    -1.7917    -3.6314	H	1	noname	0.0254
21	H10    -1.4260     4.3485     0.9570	H	1	noname	0.0254
22	H11    -0.4405     4.1511    -0.5120	H	1	noname	0.0254
23	H12    -2.1484     3.6497    -0.5120	H	1	noname	0.0254
24	H13    -2.0281    -3.3405     2.5357	H	1	noname	0.0254
25	H14    -1.6874    -1.8777     3.4908	H	1	noname	0.0254
26	H15    -3.0158    -1.8777     2.3061	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	1
10	8	11	1
11	6	12	1
12	6	13	1
13	7	14	1
14	7	15	1
15	8	16	1
16	8	17	1
17	9	18	1
18	9	19	1
19	9	20	1
20	10	21	1
21	10	22	1
22	10	23	1
23	11	24	1
24	11	25	1
25	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1