@<TRIPOS>MOLECULE
DB07086
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0896    -1.0467    -2.2706	O.3	1	noname	-0.3721
2	C1    -0.6202    -0.3295    -1.1966	C.3	1	noname	0.0891
3	C2     1.5277    -1.2838    -2.1461	C.3	1	noname	0.0557
4	C3    -1.5748    -1.2590    -0.4319	C.2	1	noname	-0.0543
5	C4     0.2292     0.6916    -0.3350	C.3	1	noname	0.0107
6	C5     2.3728    -0.1677    -1.4545	C.3	1	noname	0.0210
7	C6    -2.9365    -0.9816    -0.3985	C.2	1	noname	-0.0397
8	C7    -1.0770    -2.3774     0.2265	C.2	1	noname	-0.0397
9	C8     0.7776     0.1716     0.9384	C.2	1	noname	-0.0758
10	C9     1.4593     1.0948    -1.2200	C.3	1	noname	-0.0335
11	C10     2.8591    -0.7520    -0.0812	C.3	1	noname	-0.0247
12	C11     3.6031     0.1201    -2.3174	C.3	1	noname	0.0513
13	C12    -3.8002    -1.8227     0.2934	C.2	1	noname	-0.0289
14	C13    -1.9407    -3.2184     0.9183	C.2	1	noname	-0.0289
15	C14     1.9494    -0.4972     1.0543	C.2	1	noname	-0.0798
16	C15     0.0166     0.3911     2.1291	C.3	1	noname	-0.0435
17	O2     4.3850     1.1341    -1.7036	O.3	1	noname	-0.3955
18	C16    -3.3024    -2.9410     0.9518	C.2	1	noname	-0.0012
19	O3    -4.1413    -3.7578     1.6238	O.3	1	noname	-0.2861
20	H1    -1.2598     0.3322    -1.7806	H	1	noname	0.0661
21	H2     1.5915    -2.1623    -1.5040	H	1	noname	0.0573
22	H3     1.8724    -1.3373    -3.1787	H	1	noname	0.0573
23	H4    -0.4271     1.4952    -0.0009	H	1	noname	0.0379
24	H5    -3.3269    -0.1047    -0.9148	H	1	noname	0.0627
25	H6    -0.0092    -2.5948     0.2002	H	1	noname	0.0627
26	H7     1.0635     1.3842    -2.1934	H	1	noname	0.0281
27	H8     2.0452     1.8053    -0.6368	H	1	noname	0.0281
28	H9     2.8673    -1.8370    -0.1851	H	1	noname	0.0317
29	H10     3.7754    -0.2227     0.1802	H	1	noname	0.0317
30	H11     4.2310    -0.7709    -2.3181	H	1	noname	0.0570
31	H12     3.2617     0.5470    -3.2605	H	1	noname	0.0570
32	H13    -4.8680    -1.6052     0.3197	H	1	noname	0.0650
33	H14    -1.5503    -4.0954     1.4346	H	1	noname	0.0650
34	H15     2.1620    -0.8330     2.0693	H	1	noname	0.0575
35	H16    -0.2617    -0.5686     2.5645	H	1	noname	0.0276
36	H17     0.6156     0.9547     2.8444	H	1	noname	0.0276
37	H18    -0.8841     0.9547     1.8858	H	1	noname	0.0276
38	H19     4.3223     1.0528    -0.7491	H	1	noname	0.2100
39	H20    -4.0174    -3.6372     2.5681	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	6	12	1
12	6	10	1
13	7	13	1
14	8	14	2
15	9	15	2
16	9	16	1
17	11	15	1
18	12	17	1
19	13	18	2
20	14	18	1
21	18	19	1
22	2	20	1
23	3	21	1
24	3	22	1
25	5	23	1
26	7	24	1
27	8	25	1
28	10	26	1
29	10	27	1
30	11	28	1
31	11	29	1
32	12	30	1
33	12	31	1
34	13	32	1
35	14	33	1
36	15	34	1
37	16	35	1
38	16	36	1
39	16	37	1
40	17	38	1
41	19	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1