@<TRIPOS>MOLECULE
DB04068
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -5.0463    -3.7956    -1.1931	P	1	noname	0.0669
2	O1    -5.5047    -3.6907    -2.5542	O.2	1	noname	-0.1856
3	O2    -6.0306    -3.0635    -0.2621	O.3	1	noname	-0.0280
4	O3    -3.6511    -3.1552    -1.0706	O.3	1	noname	-0.1456
5	O4    -4.9668    -5.2800    -0.7911	O.3	1	noname	-0.1575
6	P2    -7.4258    -3.7039    -0.3846	P	1	noname	0.0623
7	C1    -3.1990    -3.2586     0.2715	C.3	1	noname	0.0917
8	O5    -8.3462    -3.0194     0.4860	O.2	1	noname	-0.1871
9	O6    -7.3464    -5.1884     0.0174	O.3	1	noname	-0.1585
10	O7    -7.9161    -3.5918    -1.8401	O.3	1	noname	-0.1585
11	C2    -1.8129    -2.6224     0.3932	C.3	1	noname	0.1153
12	O8    -1.8866    -1.2447     0.0201	O.3	1	noname	-0.3533
13	C3    -1.3307    -2.7215     1.8454	C.3	1	noname	0.1324
14	C4    -0.7007    -0.7315     0.6339	C.3	1	noname	0.1259
15	F1    -0.3937    -3.7170     1.9489	F	1	noname	-0.2442
16	C5    -0.6585    -1.3694     2.0415	C.3	1	noname	0.0220
17	N1    -0.6567     0.7017     0.4887	N.3	1	noname	0.0562
18	C6    -0.0252     1.1758    -0.6407	C.2	1	noname	0.1086
19	C7    -1.2422     1.5773     1.3972	C.2	1	noname	-0.0438
20	O9     0.4887     0.3934    -1.4690	O.2	1	noname	-0.2476
21	N2     0.0212     2.5330    -0.8264	N.2	1	noname	-0.1288
22	C8    -1.2018     2.9879     1.2445	C.2	1	noname	0.0227
23	C9    -0.5332     3.4208     0.0682	C.2	1	noname	0.0410
24	O10    -0.4384     4.7444    -0.1803	O.3	1	noname	-0.2572
25	H1    -4.9630    -5.3526     0.1661	H	1	noname	0.2283
26	H2    -3.8968    -2.6629     0.8601	H	1	noname	0.0605
27	H3    -3.0982    -4.3269     0.4629	H	1	noname	0.0605
28	H4    -7.3425    -5.2609     0.9747	H	1	noname	0.2283
29	H5    -8.0390    -4.4712    -2.2050	H	1	noname	0.2283
30	H6    -1.1079    -3.0856    -0.2972	H	1	noname	0.0659
31	H7    -2.0639    -3.0181     2.5954	H	1	noname	0.0690
32	H8     0.2161    -0.9666     0.0931	H	1	noname	0.0788
33	H9    -1.2903    -0.7769     2.7032	H	1	noname	0.0338
34	H10     0.3842    -1.5512     2.3021	H	1	noname	0.0338
35	H11    -1.7500     1.1431     2.2584	H	1	noname	0.0759
36	H12    -1.6440     3.6760     1.9650	H	1	noname	0.0677
37	H13    -0.4041     5.2243     0.6504	H	1	noname	0.2199
@<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	6	8	2
8	6	9	1
9	6	10	1
10	11	7	1
11	11	12	1
12	11	13	1
13	12	14	1
14	13	15	1
15	13	16	1
16	14	17	1
17	14	16	1
18	17	18	1
19	17	19	1
20	18	20	2
21	18	21	1
22	19	22	2
23	21	23	2
24	22	23	1
25	23	24	1
26	5	25	1
27	7	26	1
28	7	27	1
29	9	28	1
30	10	29	1
31	11	30	1
32	13	31	1
33	14	32	1
34	16	33	1
35	16	34	1
36	19	35	1
37	22	36	1
38	24	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1