@<TRIPOS>MOLECULE
DB02209
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.4722    -2.6802    -0.5536	P	1	noname	0.0155
2	O1    -3.3200    -2.8693    -1.7022	O.2	1	noname	-0.1965
3	O2    -1.6773    -1.3708    -0.7124	O.3	1	noname	-0.1511
4	O3    -1.4938    -3.8638    -0.4373	O.3	1	noname	-0.1644
5	O4    -3.3389    -2.6038     0.7171	O.3	1	noname	-0.1644
6	C1    -0.8414    -1.1843     0.4202	C.3	1	noname	0.0895
7	C2    -0.0878     0.0571     0.2698	C.2	1	noname	-0.0012
8	C3     1.3482     0.0516     0.2474	C.2	1	noname	0.0122
9	C4    -0.7606     1.3182     0.1399	C.2	1	noname	-0.0052
10	C5     2.1101     1.2591     0.1006	C.2	1	noname	0.0356
11	C6     2.0539    -1.2198     0.3779	C.3	1	noname	0.0713
12	N1    -0.0026     2.4709    -0.0007	N.2	1	noname	-0.2526
13	O5     3.4598     1.2355     0.0816	O.3	1	noname	-0.2757
14	C7     1.3886     2.4900    -0.0251	C.2	1	noname	0.0284
15	O6     2.8502    -1.4399    -0.7771	O.3	1	noname	-0.3914
16	C8     2.1058     3.7525    -0.1774	C.3	1	noname	0.0428
17	H1    -1.3341    -4.0570     0.4894	H	1	noname	0.2283
18	H2    -3.5443    -3.4919     1.0182	H	1	noname	0.2283
19	H3    -1.5069    -1.0570     1.2740	H	1	noname	0.0629
20	H4    -0.1218    -2.0029     0.4074	H	1	noname	0.0629
21	H5    -1.8474     1.4005     0.1481	H	1	noname	0.0843
22	H6     2.7473    -1.1205     1.2130	H	1	noname	0.0616
23	H7     1.3012    -2.0081     0.3852	H	1	noname	0.0616
24	H8     3.7924     1.2297     0.9821	H	1	noname	0.2182
25	H9     2.9500    -2.3837    -0.9218	H	1	noname	0.2105
26	H10     2.3373     4.1599     0.8068	H	1	noname	0.0296
27	H11     3.0317     3.5805    -0.7263	H	1	noname	0.0296
28	H12     1.4840     4.4597    -0.7263	H	1	noname	0.0296
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	8	11	1
11	9	12	2
12	10	13	1
13	10	14	2
14	11	15	1
15	12	14	1
16	14	16	1
17	4	17	1
18	5	18	1
19	6	19	1
20	6	20	1
21	9	21	1
22	11	22	1
23	11	23	1
24	13	24	1
25	15	25	1
26	16	26	1
27	16	27	1
28	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1