@<TRIPOS>MOLECULE
DB04660
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.6964     0.1859    -0.7055	P	1	noname	-0.1425
2	O1    -3.0245    -0.3311     0.5978	O.2	1	noname	-0.3668
3	O2    -2.2475    -0.9703    -1.6183	O.3	1	noname	-0.2516
4	O3    -1.5554     1.2123    -0.5782	O.3	1	noname	-0.2490
5	O4    -3.9356     0.8687    -1.3137	O.3	1	noname	-0.3668
6	C1    -1.9239    -0.4604    -2.9035	C.3	1	noname	0.0780
7	C2    -1.9694     2.2784     0.2635	C.3	1	noname	0.0977
8	C3    -1.4779    -1.6091    -3.8104	C.3	1	noname	0.1003
9	C4    -0.8357     3.2980     0.3899	C.3	1	noname	0.0135
10	O5    -1.1544    -1.0992    -5.0956	O.3	1	noname	-0.3882
11	C5    -0.2468    -2.2875    -3.2061	C.3	1	noname	0.0714
12	N1    -1.2619     4.3957     1.2565	N.4	1	noname	0.0079
13	O6     0.1671    -3.3536    -4.0478	O.3	1	noname	-0.3935
14	C6    -0.1786     5.3700     1.3773	C.3	1	noname	-0.0214
15	C7    -2.4383     5.0439     0.6791	C.3	1	noname	-0.0214
16	C8    -1.5950     3.8707     2.5797	C.3	1	noname	-0.0214
17	H1    -2.8565    -0.0594    -3.3005	H	1	noname	0.0593
18	H2    -1.0696     0.1985    -2.7483	H	1	noname	0.0593
19	H3    -2.7973     2.7570    -0.2595	H	1	noname	0.0633
20	H4    -2.1305     1.8293     1.2435	H	1	noname	0.0633
21	H5    -2.2851    -2.3228    -3.9750	H	1	noname	0.0648
22	H6    -0.0104     2.8096     0.9080	H	1	noname	0.0964
23	H7    -0.6772     3.7373    -0.5950	H	1	noname	0.0964
24	H8    -1.0021    -1.8291    -5.7004	H	1	noname	0.2106
25	H9     0.5743    -1.5708    -3.2195	H	1	noname	0.0591
26	H10    -0.5457    -2.7564    -2.2687	H	1	noname	0.0591
27	H11     0.4546    -4.0939    -3.5086	H	1	noname	0.2101
28	H12     0.0274     5.5554     2.4315	H	1	noname	0.0902
29	H13     0.7173     4.9789     0.8953	H	1	noname	0.0902
30	H14    -0.4730     6.3023     0.8953	H	1	noname	0.0902
31	H15    -3.0861     5.4009     1.4797	H	1	noname	0.0902
32	H16    -2.1234     5.8865     0.0635	H	1	noname	0.0902
33	H17    -2.9824     4.3276     0.0635	H	1	noname	0.0902
34	H18    -1.5877     2.7811     2.5507	H	1	noname	0.0902
35	H19    -0.8598     4.2198     3.3047	H	1	noname	0.0902
36	H20    -2.5859     4.2198     2.8702	H	1	noname	0.0902
@<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	1
8	7	9	1
9	8	10	1
10	8	11	1
11	9	12	1
12	11	13	1
13	12	14	1
14	12	15	1
15	12	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	8	21	1
21	9	22	1
22	9	23	1
23	10	24	1
24	11	25	1
25	11	26	1
26	13	27	1
27	14	28	1
28	14	29	1
29	14	30	1
30	15	31	1
31	15	32	1
32	15	33	1
33	16	34	1
34	16	35	1
35	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1