@<TRIPOS>MOLECULE
DB04406
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.0846    -0.7970     0.7670	P	1	noname	0.0162
2	O1    -2.9855    -1.8733     1.0887	O.2	1	noname	-0.2295
3	O2    -2.8146     0.2396    -0.1071	O.3	1	noname	-0.1937
4	O3    -1.6030    -0.1250     2.0662	O.3	1	noname	-0.1937
5	C1    -0.7860    -1.3945    -0.0572	C.3	1	noname	0.0823
6	C2     0.1274    -0.3032    -0.3834	C.2	1	noname	0.0356
7	C3     1.1823     0.0702     0.5152	C.2	1	noname	0.0607
8	C4    -0.0037     0.4276    -1.6128	C.2	1	noname	-0.0158
9	N1     2.0254     1.1133     0.1626	N.2	1	noname	-0.2034
10	C5     1.3561    -0.6025     1.7191	C.2	1	noname	0.1141
11	C6     0.8823     1.5037    -1.9547	C.2	1	noname	-0.0049
12	C7     1.9176     1.8351    -1.0222	C.2	1	noname	0.0134
13	O4     2.2783    -0.2686     2.4942	O.2	1	noname	-0.2481
14	O5     0.5289    -1.6163     2.0514	O.3	1	noname	-0.2108
15	H1    -3.2621     0.8750     0.4564	H	1	noname	0.2259
16	H2    -1.3657    -0.7997     2.7065	H	1	noname	0.2259
17	H3    -0.2147    -2.0420     0.6080	H	1	noname	0.0469
18	H4    -1.1243    -1.7683    -1.0236	H	1	noname	0.0469
19	H5    -0.7993     0.1574    -2.3071	H	1	noname	0.0627
20	H6     0.7725     2.0509    -2.8910	H	1	noname	0.0638
21	H7     2.6267     2.6402    -1.2150	H	1	noname	0.0839
22	H8     0.4736    -1.6840     3.0074	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	5	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	2
11	9	12	2
12	10	13	2
13	10	14	1
14	11	12	1
15	3	15	1
16	4	16	1
17	5	17	1
18	5	18	1
19	8	19	1
20	11	20	1
21	12	21	1
22	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1