@<TRIPOS>MOLECULE
DB01995
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.7378    -3.1986    -2.0689	P	1	noname	0.0149
2	O1    -5.6126    -2.3541    -2.8404	O.2	1	noname	-0.1967
3	O2    -3.8745    -2.3281    -1.1369	O.3	1	noname	-0.1525
4	O3    -5.5789    -4.1751    -1.2259	O.3	1	noname	-0.1645
5	O4    -3.8245    -3.9956    -3.0187	O.3	1	noname	-0.1645
6	C1    -3.0119    -3.1608    -0.3761	C.3	1	noname	0.0914
7	C2    -2.1541    -2.2960     0.5499	C.3	1	noname	0.1127
8	O5    -3.0018    -1.5563     1.4314	O.3	1	noname	-0.3509
9	C3    -1.2325    -3.1962     1.3815	C.3	1	noname	0.1124
10	C4    -2.0835    -1.2204     2.4756	C.3	1	noname	0.1503
11	O6     0.0867    -3.1339     0.8598	O.3	1	noname	-0.3873
12	C5    -1.2739    -2.5105     2.7405	C.3	1	noname	0.1230
13	N1    -2.7867    -0.5745     3.5551	N.3	1	noname	0.0213
14	O7     0.0456    -2.1680     3.1381	O.3	1	noname	-0.3860
15	C6    -2.8787     0.7985     3.4807	C.2	1	noname	-0.0058
16	C7    -3.3811    -1.2718     4.6016	C.2	1	noname	-0.0511
17	O8    -2.3190     1.4800     2.4586	O.3	1	noname	-0.2484
18	N2    -3.5568     1.4499     4.4779	N.2	1	noname	-0.1740
19	C8    -4.0788    -0.6301     5.6580	C.2	1	noname	0.0233
20	C9    -4.1366     0.7840     5.5346	C.2	1	noname	0.0530
21	C10    -4.6825    -1.3573     6.7708	C.3	1	noname	-0.0351
22	N3    -4.7586     1.4736     6.4514	N.2	1	noname	-0.2351
23	H1    -5.4303    -4.0026    -0.2933	H	1	noname	0.2283
24	H2    -3.2141    -4.5283    -2.5036	H	1	noname	0.2283
25	H3    -3.6688    -3.7706     0.2441	H	1	noname	0.0605
26	H4    -2.3517    -3.6359    -1.1018	H	1	noname	0.0605
27	H5    -1.5890    -1.5567    -0.0178	H	1	noname	0.0657
28	H6    -1.4628    -4.2616     1.3780	H	1	noname	0.0657
29	H7    -1.4068    -0.4033     2.2254	H	1	noname	0.0816
30	H8     0.7161    -3.1042     1.5841	H	1	noname	0.2106
31	H9    -1.6392    -3.1382     3.5533	H	1	noname	0.0671
32	H10     0.0976    -2.1545     4.0966	H	1	noname	0.2107
33	H11    -3.2973    -2.3586     4.5936	H	1	noname	0.0761
34	H12    -1.9669     0.8602     1.8155	H	1	noname	0.2209
35	H13    -4.5886    -2.4294     6.5977	H	1	noname	0.0281
36	H14    -4.1725    -1.0928     7.6971	H	1	noname	0.0281
37	H15    -5.7370    -1.0928     6.8483	H	1	noname	0.0281
38	H16    -4.4710     1.1547     7.3656	H	1	noname	0.1894
@<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	12	14	1
15	13	15	1
16	13	16	1
17	15	17	1
18	15	18	2
19	16	19	2
20	18	20	1
21	19	21	1
22	19	20	1
23	20	22	2
24	4	23	1
25	5	24	1
26	6	25	1
27	6	26	1
28	7	27	1
29	9	28	1
30	10	29	1
31	11	30	1
32	12	31	1
33	14	32	1
34	16	33	1
35	17	34	1
36	21	35	1
37	21	36	1
38	21	37	1
39	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1