@<TRIPOS>MOLECULE
DB07034
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -5.6662    -3.2193    -0.4034	O.2	1	noname	-0.2461
2	C1    -5.5166    -2.1096     0.1524	C.2	1	noname	0.1487
3	O2    -6.4140    -1.6869     1.0680	O.3	1	noname	-0.2113
4	C2    -4.3714    -1.2708    -0.1887	C.3	1	noname	0.1389
5	O3    -3.5911    -1.0391     0.9748	O.3	1	noname	-0.2669
6	C3    -2.5322    -0.2634     0.6594	C.2	1	noname	0.0114
7	C4    -1.3141    -0.8861     0.2487	C.2	1	noname	0.0039
8	C5    -2.6621     1.1563     0.7459	C.2	1	noname	-0.0140
9	C6    -0.2246    -0.0245    -0.0795	C.2	1	noname	-0.0037
10	C7    -1.5758     2.0224     0.3924	C.2	1	noname	-0.0277
11	C8     1.1140    -0.4443    -0.5291	C.2	1	noname	0.0369
12	C9    -0.3755     1.3953    -0.0616	C.2	1	noname	-0.0217
13	N1     1.6456    -1.6026    -0.5652	N.2	1	noname	-0.2024
14	C10     1.6561     0.8607    -0.9231	C.2	1	noname	-0.0037
15	C11     0.7708     1.9321    -0.6256	C.2	1	noname	-0.0217
16	O4     2.8270    -1.7432    -0.9951	O.3	1	noname	-0.2079
17	C12     2.8871     1.0978    -1.5980	C.2	1	noname	0.0039
18	C13     1.0354     3.2718    -1.0373	C.2	1	noname	-0.0277
19	C14     3.1165     2.4182    -2.0719	C.2	1	noname	0.0114
20	C15     2.2100     3.4816    -1.7970	C.2	1	noname	-0.0140
21	O5     4.2235     2.6709    -2.8022	O.3	1	noname	-0.2669
22	C16     3.9372     2.4745    -4.1791	C.3	1	noname	0.1389
23	C17     5.1344     2.7478    -4.9689	C.2	1	noname	0.1487
24	O6     5.1193     3.6486    -5.8354	O.2	1	noname	-0.2461
25	O7     6.2576     2.0277    -4.7633	O.3	1	noname	-0.2113
26	H1    -6.0714    -1.8483     1.9502	H	1	noname	0.2213
27	H2    -3.7422    -1.8439    -0.8698	H	1	noname	0.0682
28	H3    -4.7613    -0.2998    -0.4939	H	1	noname	0.0682
29	H4    -1.2202    -1.9704     0.1885	H	1	noname	0.0657
30	H5    -3.6043     1.5853     1.0869	H	1	noname	0.0650
31	H6    -1.6585     3.1068     0.4653	H	1	noname	0.0630
32	H7     3.4313    -1.8151    -0.2526	H	1	noname	0.2481
33	H8     3.6204     0.3048    -1.7452	H	1	noname	0.0657
34	H9     0.3705     4.0973    -0.7832	H	1	noname	0.0630
35	H10     2.4205     4.4812    -2.1775	H	1	noname	0.0650
36	H11     3.7078     1.4153    -4.2957	H	1	noname	0.0682
37	H12     3.1944     3.2257    -4.4473	H	1	noname	0.0682
38	H13     6.4078     1.9314    -3.8200	H	1	noname	0.2213
@<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	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	1
11	9	12	2
12	10	12	1
13	11	13	2
14	11	14	1
15	12	15	1
16	13	16	1
17	14	17	1
18	14	15	2
19	15	18	1
20	17	19	2
21	18	20	2
22	19	21	1
23	19	20	1
24	21	22	1
25	22	23	1
26	23	24	2
27	23	25	1
28	3	26	1
29	4	27	1
30	4	28	1
31	7	29	1
32	8	30	1
33	10	31	1
34	16	32	1
35	17	33	1
36	18	34	1
37	20	35	1
38	22	36	1
39	22	37	1
40	25	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1