@<TRIPOS>MOLECULE
DB02482
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     0.5752     0.5771     2.2383	P	1	noname	0.0156
2	O1     0.8552    -0.2179     3.4058	O.2	1	noname	-0.1965
3	O2     0.0983    -0.3388     1.0958	O.3	1	noname	-0.1509
4	O3    -0.5253     1.6028     2.5674	O.3	1	noname	-0.1644
5	O4     1.8534     1.3176     1.8029	O.3	1	noname	-0.1644
6	C1    -0.1778     0.4452    -0.0555	C.3	1	noname	0.0952
7	C2    -0.6516    -0.4648    -1.1906	C.3	1	noname	0.1185
8	C3     1.0921     1.1808    -0.4880	C.3	1	noname	-0.0356
9	N1    -1.8651    -1.1678    -0.7773	N.3	1	noname	-0.3172
10	C4    -0.9355     0.3412    -2.3743	C.2	1	noname	0.1450
11	O5    -0.3108     0.1329    -3.4368	O.2	1	noname	-0.2487
12	O6    -1.8725     1.3116    -2.3214	O.3	1	noname	-0.2133
13	H1    -0.6125     1.6840     3.5200	H	1	noname	0.2283
14	H2     2.3404     1.5997     2.5806	H	1	noname	0.2283
15	H3    -0.9584     1.1429     0.2475	H	1	noname	0.0632
16	H4     0.0993    -1.2082    -1.4581	H	1	noname	0.0599
17	H5     1.6450     1.5012     0.3950	H	1	noname	0.0258
18	H6     1.7141     0.5126    -1.0836	H	1	noname	0.0258
19	H7     0.8219     2.0528    -1.0836	H	1	noname	0.0258
20	H8    -2.7227    -0.6538    -0.6345	H	1	noname	0.1192
21	H9    -1.8458    -2.1675    -0.6345	H	1	noname	0.1192
22	H10    -2.0700     1.5161    -1.4045	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	6	3	1
6	6	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	10	11	2
11	10	12	1
12	4	13	1
13	5	14	1
14	6	15	1
15	7	16	1
16	8	17	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1