@<TRIPOS>MOLECULE
DB06912
39 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.8802    -1.9633     0.6805	O.2	1	noname	-0.3056
2	C1     3.5292    -2.8587    -0.0701	C.2	1	noname	0.0894
3	C2     2.1147    -3.0742    -0.3340	C.2	1	noname	0.0177
4	C3     1.1361    -2.1481    -0.3344	C.2	1	noname	-0.0436
5	C4     1.7232    -4.4267    -0.6260	C.3	1	noname	-0.0184
6	C5     1.2884    -0.7401    -0.0714	C.3	1	noname	-0.0302
7	C6     1.3585    -5.1443     0.6751	C.3	1	noname	0.0071
8	C7     0.0285     0.1615    -0.1212	C.3	1	noname	-0.0215
9	C8     0.9691    -6.4893     0.3846	C.2	1	noname	0.1232
10	C9     0.2189     1.5762     0.1491	C.2	1	noname	0.0176
11	O2     0.6376    -7.2373     1.2896	O.2	1	noname	-0.3064
12	C10    -0.9764     2.1861     0.0602	C.2	1	noname	0.0894
13	C11     1.4409     2.0861     0.4319	C.2	1	noname	-0.0439
14	O3    -1.2587     3.3649     0.2145	O.2	1	noname	-0.3056
15	C12     2.1186     3.3294     0.7515	C.3	1	noname	-0.0339
16	C13     1.3873     4.6721     0.8614	C.3	1	noname	-0.0432
17	C14     2.3915     5.7728     1.2093	C.3	1	noname	0.0033
18	C15     1.7094     7.0254     1.3118	C.2	1	noname	0.1230
19	O4     2.3321     8.0387     1.5836	O.2	1	noname	-0.3066
20	H1     4.3860    -3.4065    -0.4622	H	1	noname	0.1094
21	H2     0.1556    -2.5660    -0.5628	H	1	noname	0.0580
22	H3     0.8184    -4.3481    -1.2288	H	1	noname	0.0321
23	H4     2.6108    -4.9087    -1.0357	H	1	noname	0.0321
24	H5     1.6429    -0.7158     0.9591	H	1	noname	0.0313
25	H6     1.9384    -0.4044    -0.8794	H	1	noname	0.0313
26	H7     2.2625    -5.2248     1.2787	H	1	noname	0.0346
27	H8     0.4701    -4.6642     1.0855	H	1	noname	0.0346
28	H9    -0.3268     0.1393    -1.1515	H	1	noname	0.0320
29	H10    -0.6224    -0.1722     0.6870	H	1	noname	0.0320
30	H11     0.9220    -6.9758    -0.5896	H	1	noname	0.1041
31	H12    -1.8787     1.6238    -0.1801	H	1	noname	0.1094
32	H13     2.0898     1.2115     0.3880	H	1	noname	0.0579
33	H14     2.5086     3.1357     1.7507	H	1	noname	0.0310
34	H15     2.8042     3.4472    -0.0877	H	1	noname	0.0310
35	H16     1.0003     4.9025    -0.1312	H	1	noname	0.0274
36	H17     0.7047     4.5910     1.7073	H	1	noname	0.0274
37	H18     2.7810     5.5687     2.2067	H	1	noname	0.0343
38	H19     3.0765     5.8801     0.3682	H	1	noname	0.0343
39	H20     0.6459     7.2204     1.1739	H	1	noname	0.1041
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	1
12	10	13	2
13	12	14	2
14	13	15	1
15	15	16	1
16	16	17	1
17	17	18	1
18	18	19	2
19	2	20	1
20	4	21	1
21	5	22	1
22	5	23	1
23	6	24	1
24	6	25	1
25	7	26	1
26	7	27	1
27	8	28	1
28	8	29	1
29	9	30	1
30	12	31	1
31	13	32	1
32	15	33	1
33	15	34	1
34	16	35	1
35	16	36	1
36	17	37	1
37	17	38	1
38	18	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1