@<TRIPOS>MOLECULE
DB00991
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.7518     2.8846     1.5600	O.2	1	noname	-0.2558
2	C1     4.9514     2.7496     0.6094	C.2	1	noname	0.1350
3	O2     5.3087     3.1357    -0.6339	O.3	1	noname	-0.2188
4	C2     3.6301     2.1744     0.8437	C.3	1	noname	0.0410
5	C3     2.8557     2.1217    -0.4748	C.3	1	noname	0.0218
6	C4     1.5344     1.5465    -0.2405	C.2	1	noname	0.0925
7	O3     1.2894     0.3092     0.2500	O.3	1	noname	-0.3452
8	N1     0.3633     2.1578    -0.4761	N.2	1	noname	-0.1743
9	C5    -0.0502     0.1544     0.3182	C.2	1	noname	0.0880
10	C6    -0.6374     1.3271    -0.1425	C.2	1	noname	0.0762
11	C7    -0.7223    -0.9759     0.7686	C.2	1	noname	-0.0248
12	C8    -1.9990     1.5895    -0.2391	C.2	1	noname	-0.0274
13	C9    -0.1428    -1.7901     1.7347	C.2	1	noname	-0.0250
14	C10    -1.9737    -1.2920     0.2528	C.2	1	noname	-0.0250
15	C11    -2.4731     2.4486    -1.2235	C.2	1	noname	-0.0282
16	C12    -2.8865     0.9926     0.6487	C.2	1	noname	-0.0282
17	C13    -0.8148    -2.9204     2.1851	C.2	1	noname	-0.0507
18	C14    -2.6458    -2.4223     0.7032	C.2	1	noname	-0.0507
19	C15    -3.8347     2.7110    -1.3202	C.2	1	noname	-0.0516
20	C16    -4.2481     1.2550     0.5521	C.2	1	noname	-0.0516
21	C17    -2.0663    -3.2365     1.6694	C.2	1	noname	-0.0444
22	C18    -4.7222     2.1141    -0.4323	C.2	1	noname	-0.0464
23	H1     5.4649     2.3599    -1.1774	H	1	noname	0.2213
24	H2     3.8030     1.1473     1.1652	H	1	noname	0.0377
25	H3     3.1121     2.8717     1.5021	H	1	noname	0.0377
26	H4     2.6828     3.1488    -0.7963	H	1	noname	0.0359
27	H5     3.3737     1.4244    -1.1332	H	1	noname	0.0359
28	H6     0.8386    -1.5422     2.1391	H	1	noname	0.0629
29	H7    -2.4281    -0.6535    -0.5048	H	1	noname	0.0629
30	H8    -1.7771     2.9167    -1.9198	H	1	noname	0.0629
31	H9    -2.5147     0.3189     1.4207	H	1	noname	0.0629
32	H10    -0.3604    -3.5589     2.9427	H	1	noname	0.0622
33	H11    -3.6271    -2.6702     0.2988	H	1	noname	0.0622
34	H12    -4.2064     3.3847    -2.0922	H	1	noname	0.0622
35	H13    -4.9440     0.7869     1.2483	H	1	noname	0.0622
36	H14    -2.5933    -4.1229     2.0226	H	1	noname	0.0622
37	H15    -5.7899     2.3199    -0.5081	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	6	8	2
8	7	9	1
9	8	10	1
10	9	11	1
11	9	10	2
12	10	12	1
13	11	13	2
14	11	14	1
15	12	15	2
16	12	16	1
17	13	17	1
18	14	18	2
19	15	19	1
20	16	20	2
21	17	21	2
22	18	21	1
23	19	22	2
24	20	22	1
25	3	23	1
26	4	24	1
27	4	25	1
28	5	26	1
29	5	27	1
30	13	28	1
31	14	29	1
32	15	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	19	34	1
37	20	35	1
38	21	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1