@<TRIPOS>MOLECULE
DB02023
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     2.9651    -6.1770     1.3885	P	1	noname	0.0149
2	O1     1.8737    -7.0351     1.7704	O.2	1	noname	-0.1967
3	O2     2.4117    -4.9282     0.6773	O.3	1	noname	-0.1525
4	O3     3.9058    -6.9364     0.4345	O.3	1	noname	-0.1645
5	O4     3.7452    -5.7485     2.6453	O.3	1	noname	-0.1645
6	C1     3.4880    -4.0819     0.3007	C.3	1	noname	0.0913
7	C2     2.9382    -2.8412    -0.4059	C.3	1	noname	0.1103
8	O5     2.2222    -3.2345    -1.5594	O.3	1	noname	-0.3511
9	C3     4.1028    -1.9793    -0.9048	C.3	1	noname	0.0867
10	C4     2.2810    -2.0656    -2.3617	C.3	1	noname	0.1340
11	O6     4.1671    -0.7831    -0.1422	O.3	1	noname	-0.3900
12	C5     3.7455    -1.6425    -2.3510	C.3	1	noname	0.0195
13	N1     1.7483    -2.3151    -3.6528	N.3	1	noname	0.0199
14	C6     0.6739    -1.6829    -4.1703	C.2	1	noname	0.0331
15	C7     2.1565    -3.2533    -4.5259	C.2	1	noname	-0.0255
16	O7     0.0031    -0.6733    -3.5761	O.3	1	noname	-0.2385
17	N2     0.3724    -2.2181    -5.3785	N.2	1	noname	-0.1872
18	N3     3.1965    -4.1350    -4.4593	N.3	1	noname	0.0891
19	C8     1.2646    -3.1881    -5.5969	C.2	1	noname	0.0626
20	C9     3.3765    -5.0230    -5.4848	C.2	1	noname	0.0420
21	C10     1.4505    -4.1116    -6.6508	C.2	1	noname	0.0583
22	N4     2.4998    -4.9919    -6.5393	N.2	1	noname	-0.1697
23	N5     4.3602    -5.8803    -5.4601	N.2	1	noname	-0.2387
24	O8     0.6306    -4.1281    -7.7232	O.3	1	noname	-0.2482
25	H1     4.5374    -7.4465     0.9468	H	1	noname	0.2283
26	H2     4.0401    -6.5289     3.1203	H	1	noname	0.2283
27	H3     3.9474    -3.7621     1.2360	H	1	noname	0.0605
28	H4     4.0679    -4.6539    -0.4237	H	1	noname	0.0605
29	H5     2.2481    -2.3077     0.2478	H	1	noname	0.0656
30	H6     5.0865    -2.4320    -0.7802	H	1	noname	0.0630
31	H7     1.6049    -1.2949    -1.9914	H	1	noname	0.0825
32	H8     4.1555    -0.9989     0.7931	H	1	noname	0.2105
33	H9     3.7991    -0.5619    -2.4839	H	1	noname	0.0338
34	H10     4.3057    -2.3016    -3.0142	H	1	noname	0.0338
35	H11     0.0645    -0.7658    -2.6225	H	1	noname	0.2212
36	H12     3.8214    -4.1304    -3.6658	H	1	noname	0.0682
37	H13     4.6004    -6.0896    -4.5017	H	1	noname	0.1893
38	H14     0.4430    -5.0370    -7.9687	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	7	6	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	13	14	1
15	13	15	1
16	14	16	1
17	14	17	2
18	15	18	1
19	15	19	2
20	17	19	1
21	18	20	1
22	19	21	1
23	20	22	1
24	20	23	2
25	21	24	1
26	21	22	2
27	4	25	1
28	5	26	1
29	6	27	1
30	6	28	1
31	7	29	1
32	9	30	1
33	10	31	1
34	11	32	1
35	12	33	1
36	12	34	1
37	16	35	1
38	18	36	1
39	23	37	1
40	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1