@<TRIPOS>MOLECULE
DB04457
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     6.4161     1.1652     2.1221	P	1	noname	0.0149
2	O1     6.0217     1.9740     3.2463	O.2	1	noname	-0.1967
3	O2     5.2164     0.3235     1.6492	O.3	1	noname	-0.1525
4	O3     6.8878     2.0770     0.9741	O.3	1	noname	-0.1645
5	O4     7.5660     0.2303     2.5406	O.3	1	noname	-0.1645
6	C1     5.6053    -0.4741     0.5406	C.3	1	noname	0.0913
7	C2     4.4133    -1.3104     0.0708	C.3	1	noname	0.1103
8	O5     3.3628    -0.4562    -0.3115	O.3	1	noname	-0.3512
9	C3     4.8119    -2.1159    -1.1676	C.3	1	noname	0.0867
10	C4     2.6099    -1.2690    -1.1955	C.3	1	noname	0.1317
11	O6     4.8954    -3.4927    -0.8301	O.3	1	noname	-0.3900
12	C5     3.6470    -1.8976    -2.1289	C.3	1	noname	0.0194
13	N1     1.5403    -0.5214    -1.7803	N.3	1	noname	0.0158
14	C6     0.5804     0.1168    -1.0738	C.2	1	noname	0.0095
15	C7     1.2912    -0.2682    -3.1008	C.2	1	noname	-0.0334
16	N2     0.3375     0.1948     0.2700	N.3	1	noname	0.0739
17	C8    -0.2046     0.7859    -2.0243	C.2	1	noname	0.0617
18	N3     0.2243     0.5341    -3.2559	N.2	1	noname	-0.2093
19	C9    -0.7006     0.9778     0.7150	C.2	1	noname	-0.0476
20	C10    -1.2624     1.5918    -1.5613	C.2	1	noname	0.1449
21	N4    -1.4573     1.6531    -0.2121	N.2	1	noname	-0.1575
22	N5    -0.9689     1.0805     2.0239	N.3	1	noname	-0.1336
23	O7    -1.9929     2.2250    -2.3536	O.2	1	noname	-0.2466
24	H1     7.1895     1.5370     0.2399	H	1	noname	0.2283
25	H2     7.6141     0.1912     3.4986	H	1	noname	0.2283
26	H3     5.8559     0.2315    -0.2515	H	1	noname	0.0605
27	H4     6.3651    -1.1549     0.9245	H	1	noname	0.0605
28	H5     4.0333    -1.9330     0.8807	H	1	noname	0.0656
29	H6     5.7950    -1.8815    -1.5759	H	1	noname	0.0630
30	H7     2.0228    -2.0282    -0.6788	H	1	noname	0.0824
31	H8     4.9012    -3.5882     0.1252	H	1	noname	0.2105
32	H9     3.9439    -1.1543    -2.8688	H	1	noname	0.0338
33	H10     3.2783    -2.8712    -2.4521	H	1	noname	0.0338
34	H11     1.8754    -0.6603    -3.9333	H	1	noname	0.1016
35	H12     0.9146    -0.3168     0.9222	H	1	noname	0.0676
36	H13    -0.2131     1.1193     2.6927	H	1	noname	0.1257
37	H14    -1.9268     1.1193     2.3415	H	1	noname	0.1257
@<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	2
19	16	19	1
20	17	20	1
21	17	18	1
22	19	21	2
23	19	22	1
24	20	23	2
25	20	21	1
26	4	24	1
27	5	25	1
28	6	26	1
29	6	27	1
30	7	28	1
31	9	29	1
32	10	30	1
33	11	31	1
34	12	32	1
35	12	33	1
36	15	34	1
37	16	35	1
38	22	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1