@<TRIPOS>MOLECULE
DB01899
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -0.6998    -1.2414    -0.0654	P	1	noname	0.0134
2	O1    -2.0669    -0.9195    -0.3833	O.2	1	noname	-0.2063
3	O2    -0.6440    -1.9541     1.2986	O.3	1	noname	-0.1734
4	O3    -0.1245    -2.1681    -1.1526	O.3	1	noname	-0.1734
5	N1     0.1259     0.0452    -0.0028	N.3	1	noname	-0.0900
6	C1     1.4357     0.1310     0.2672	C.2	1	noname	0.0881
7	C2    -0.3322     1.2904    -0.2087	C.2	1	noname	0.1981
8	C3     1.7944     1.4723     0.2261	C.2	1	noname	0.1805
9	C4     2.3283    -0.9882     0.5541	C.3	1	noname	0.0169
10	N2     0.6814     2.1598    -0.0698	N.2	1	noname	-0.0119
11	C5     2.9381    -1.5019    -0.7517	C.3	1	noname	0.0968
12	N3     3.8320    -2.6226    -0.4644	N.3	1	noname	-0.3191
13	C6     3.6933    -0.4286    -1.3915	C.2	1	noname	0.1439
14	O4     3.3762    -0.0373    -2.5355	O.2	1	noname	-0.2495
15	O5     4.7341     0.1411    -0.7475	O.3	1	noname	-0.2139
16	H1    -0.6495    -2.9045     1.1636	H	1	noname	0.2276
17	H2     0.3320    -2.9036    -0.7375	H	1	noname	0.2276
18	H3    -1.3621     1.5535    -0.4499	H	1	noname	0.1466
19	H4     2.7783     1.9093     0.3964	H	1	noname	0.1279
20	H5     3.1387    -0.5783     1.1570	H	1	noname	0.0353
21	H6     1.6965    -1.7801     0.9563	H	1	noname	0.0353
22	H7     0.6173     3.1627    -0.1710	H	1	noname	0.2941
23	H8     2.1754    -1.8441    -1.4513	H	1	noname	0.0575
24	H9     3.4569    -3.5551    -0.3652	H	1	noname	0.1192
25	H10     4.8245    -2.4643    -0.3652	H	1	noname	0.1192
26	H11     4.6021     0.0688     0.2006	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	5	6	1
6	5	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	8	10	1
11	9	11	1
12	11	12	1
13	11	13	1
14	13	14	2
15	13	15	1
16	3	16	1
17	4	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	12	25	1
26	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1