@<TRIPOS>MOLECULE
DB07435
39 43 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0741     4.3526    -1.7292	O.3	1	noname	-0.3855
2	C1     2.0164     3.5724    -0.5331	C.3	1	noname	0.1078
3	C2     0.8228     2.6629    -0.4012	C.2	1	noname	-0.0333
4	C3     2.0603     4.5207     0.7014	C.3	1	noname	0.1103
5	C4     0.4761     2.0949     0.8799	C.2	1	noname	-0.0261
6	C5     0.0275     2.3939    -1.5374	C.2	1	noname	-0.0323
7	O2     3.2328     5.3218     0.6546	O.3	1	noname	-0.3872
8	C6     1.9026     3.8086     2.0923	C.3	1	noname	0.0869
9	C7    -0.7628     1.3843     1.0436	C.2	1	noname	-0.0312
10	C8     1.4090     2.3388     2.0354	C.3	1	noname	0.0302
11	C9    -1.1615     1.6521    -1.4092	C.2	1	noname	-0.0351
12	O3     3.1211     3.7711     2.8218	O.3	1	noname	-0.3898
13	C10    -1.5843     1.2114    -0.1157	C.2	1	noname	-0.0192
14	C11    -1.2392     0.8825     2.2967	C.2	1	noname	-0.0407
15	C12    -1.9583     1.4319    -2.5511	C.2	1	noname	-0.0423
16	C13    -2.8748     0.6193     0.0027	C.2	1	noname	-0.0193
17	C14    -2.5041     0.2600     2.4091	C.2	1	noname	-0.0415
18	C15    -3.2463     0.8587    -2.4121	C.2	1	noname	-0.0418
19	C16    -3.3201     0.1504     1.2813	C.2	1	noname	-0.0333
20	C17    -3.7103     0.4858    -1.1474	C.2	1	noname	-0.0333
21	C18    -4.5990    -0.4443     1.3831	C.2	1	noname	-0.0456
22	C19    -4.9943    -0.0916    -1.0181	C.2	1	noname	-0.0456
23	C20    -5.4277    -0.5548     0.2441	C.2	1	noname	-0.0529
24	H1     2.1108     3.7690    -2.4906	H	1	noname	0.2110
25	H2     2.8817     2.9235    -0.6682	H	1	noname	0.0680
26	H3     1.2469     5.2405     0.6095	H	1	noname	0.0658
27	H4     0.3326     2.7604    -2.5176	H	1	noname	0.0633
28	H5     3.5215     5.5191     1.5487	H	1	noname	0.2107
29	H6     1.2097     4.4330     2.6562	H	1	noname	0.0632
30	H7     0.8136     2.1727     2.9332	H	1	noname	0.0343
31	H8     2.2853     1.7207     1.8405	H	1	noname	0.0343
32	H9     2.9309     3.7770     3.7628	H	1	noname	0.2105
33	H10    -0.6218     0.9769     3.1901	H	1	noname	0.0629
34	H11    -1.5803     1.7035    -3.5367	H	1	noname	0.0629
35	H12    -2.8500    -0.1349     3.3644	H	1	noname	0.0629
36	H13    -3.8837     0.7038    -3.2826	H	1	noname	0.0629
37	H14    -4.9481    -0.8198     2.3451	H	1	noname	0.0629
38	H15    -5.6465    -0.1792    -1.8870	H	1	noname	0.0629
39	H16    -6.4161    -1.0040     0.3406	H	1	noname	0.0623
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	2
11	8	12	1
12	8	10	1
13	9	13	1
14	9	14	2
15	11	15	1
16	11	13	1
17	13	16	2
18	14	17	1
19	15	18	2
20	16	19	1
21	16	20	1
22	17	19	2
23	18	20	1
24	19	21	1
25	20	22	2
26	21	23	2
27	22	23	1
28	1	24	1
29	2	25	1
30	4	26	1
31	6	27	1
32	7	28	1
33	8	29	1
34	10	30	1
35	10	31	1
36	12	32	1
37	14	33	1
38	15	34	1
39	17	35	1
40	18	36	1
41	21	37	1
42	22	38	1
43	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1