@<TRIPOS>MOLECULE
DB06903
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6071    -1.3499    -2.7498	O.2	1	noname	-0.2607
2	C1    -3.0586    -0.7327    -1.7610	C.2	1	noname	0.0938
3	O2    -4.3395    -0.9179    -1.3770	O.3	1	noname	-0.2200
4	C2    -2.2595     0.1255    -1.0721	C.2	1	noname	0.0570
5	C3    -1.2643     0.8045    -1.6233	C.2	1	noname	-0.0202
6	C4    -2.4034     0.3942     0.3345	C.3	1	noname	-0.0040
7	C5    -0.5834     1.6382    -0.6680	C.3	1	noname	-0.0155
8	C6    -1.3697     1.5053     0.6333	C.3	1	noname	-0.0132
9	C7    -2.0474    -0.8616     1.1327	C.3	1	noname	-0.0453
10	C8    -0.6223     3.0926    -1.1412	C.3	1	noname	-0.0412
11	C9    -0.4609     1.2040     1.8144	C.3	1	noname	-0.0374
12	C10    -2.0974     2.8212     0.9378	C.3	1	noname	-0.0410
13	C11    -0.8805    -0.3366     2.1744	C.3	1	noname	-0.0495
14	C12    -1.5901     3.8454    -0.1462	C.3	1	noname	-0.0342
15	C13    -0.8260     2.1188     2.9852	C.3	1	noname	-0.0619
16	C14    -2.7861     4.4020    -0.9211	C.3	1	noname	-0.0599
17	C15    -0.8073     4.9947     0.4921	C.3	1	noname	-0.0599
18	H1    -4.3883    -0.9249    -0.4182	H	1	noname	0.2216
19	H2    -1.0427     0.6955    -2.6850	H	1	noname	0.0584
20	H3    -3.4364     0.6727     0.5431	H	1	noname	0.0360
21	H4     0.4502     1.3033    -0.5807	H	1	noname	0.0352
22	H5    -2.9356    -1.1382     1.7007	H	1	noname	0.0273
23	H6    -1.6075    -1.5693     0.4301	H	1	noname	0.0273
24	H7     0.3805     3.4985    -1.0084	H	1	noname	0.0278
25	H8    -1.0849     3.0949    -2.1282	H	1	noname	0.0278
26	H9     0.5883     1.4050     1.5979	H	1	noname	0.0306
27	H10    -3.1600     2.6485     0.7673	H	1	noname	0.0278
28	H11    -1.7504     3.1628     1.9130	H	1	noname	0.0278
29	H12    -1.3316    -0.3114     3.1663	H	1	noname	0.0270
30	H13     0.0028    -0.9490     1.9927	H	1	noname	0.0270
31	H14    -1.0956     1.5123     3.8498	H	1	noname	0.0233
32	H15     0.0284     2.7479     3.2349	H	1	noname	0.0233
33	H16    -1.6709     2.7479     2.7050	H	1	noname	0.0233
34	H17    -3.5420     4.7538    -0.2191	H	1	noname	0.0236
35	H18    -2.4586     5.2313    -1.5482	H	1	noname	0.0236
36	H19    -3.2097     3.6175    -1.5482	H	1	noname	0.0236
37	H20    -0.8627     4.9133     1.5776	H	1	noname	0.0236
38	H21     0.2348     4.9438     0.1766	H	1	noname	0.0236
39	H22    -1.2364     5.9458     0.1766	H	1	noname	0.0236
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	7	5	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	8	1
11	8	11	1
12	8	12	1
13	9	13	1
14	10	14	1
15	11	15	1
16	11	13	1
17	12	14	1
18	14	16	1
19	14	17	1
20	3	18	1
21	5	19	1
22	6	20	1
23	7	21	1
24	9	22	1
25	9	23	1
26	10	24	1
27	10	25	1
28	11	26	1
29	12	27	1
30	12	28	1
31	13	29	1
32	13	30	1
33	15	31	1
34	15	32	1
35	15	33	1
36	16	34	1
37	16	35	1
38	16	36	1
39	17	37	1
40	17	38	1
41	17	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1