@<TRIPOS>MOLECULE
DB07433
39 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7335    -2.5150     1.2149	O.2	1	noname	-0.2523
2	C1     2.5256    -1.7809     0.2248	C.2	1	noname	0.0513
3	O2     1.7493    -2.2189    -0.7892	O.3	1	noname	-0.1966
4	N1     3.0731    -0.5591     0.1698	N.3	1	noname	-0.0301
5	C2     1.6878    -3.6057    -1.0882	C.3	1	noname	0.0710
6	C3     2.8386     0.2690    -0.9471	C.3	1	noname	0.0872
7	C4     2.1643    -3.8396    -2.5232	C.3	1	noname	-0.0357
8	C5     0.2453    -4.0951    -0.9437	C.3	1	noname	-0.0357
9	C6     2.5873    -4.3766    -0.1200	C.3	1	noname	-0.0357
10	C7     3.8672     0.0295    -1.9551	C.2	1	noname	0.0506
11	C8     2.8818     1.7354    -0.5127	C.3	1	noname	-0.0407
12	O3     5.0703     0.2275    -1.6797	O.2	1	noname	-0.2897
13	N2     3.5216    -0.4026    -3.1755	N.3	1	noname	-0.0632
14	C9     4.5151    -0.6340    -4.1490	C.3	1	noname	0.0676
15	N3     4.4752    -1.9854    -4.5493	N.3	1	noname	-0.0744
16	C10     5.8907    -0.3171    -3.5591	C.3	1	noname	-0.0355
17	C11     3.7165    -2.3490    -5.5534	C.2	1	noname	0.0341
18	O4     3.6821    -3.5183    -5.8997	O.2	1	noname	-0.3019
19	H1     3.6471    -0.2702     0.9490	H	1	noname	0.1342
20	H2     1.8699    -0.0267    -1.3498	H	1	noname	0.0564
21	H3     2.2280    -4.9107    -2.7148	H	1	noname	0.0259
22	H4     1.4576    -3.3874    -3.2190	H	1	noname	0.0259
23	H5     3.1469    -3.3874    -2.6580	H	1	noname	0.0259
24	H6    -0.0053    -4.1801     0.1137	H	1	noname	0.0259
25	H7    -0.4291    -3.3841    -1.4209	H	1	noname	0.0259
26	H8     0.1428    -5.0697    -1.4209	H	1	noname	0.0259
27	H9     2.3071    -4.1365     0.9056	H	1	noname	0.0259
28	H10     2.4686    -5.4471    -0.2880	H	1	noname	0.0259
29	H11     3.6269    -4.0956    -0.2880	H	1	noname	0.0259
30	H12     2.8834     1.7920     0.5758	H	1	noname	0.0251
31	H13     3.7859     2.2032    -0.9023	H	1	noname	0.0251
32	H14     2.0067     2.2557    -0.9023	H	1	noname	0.0251
33	H15     2.5390    -0.5500    -3.3567	H	1	noname	0.1326
34	H16     4.2584    -0.0320    -5.0207	H	1	noname	0.0640
35	H17     5.0081    -2.7174    -4.1018	H	1	noname	0.1323
36	H18     5.8313    -0.3308    -2.4708	H	1	noname	0.0260
37	H19     6.6102    -1.0646    -3.8931	H	1	noname	0.0260
38	H20     6.2107     0.6699    -3.8931	H	1	noname	0.0260
39	H21     3.0936    -1.6561    -6.1190	H	1	noname	0.1231
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	6	4	1
6	5	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	6	11	1
11	10	12	2
12	10	13	1
13	14	13	1
14	14	15	1
15	14	16	1
16	15	17	1
17	17	18	2
18	4	19	1
19	6	20	1
20	7	21	1
21	7	22	1
22	7	23	1
23	8	24	1
24	8	25	1
25	8	26	1
26	9	27	1
27	9	28	1
28	9	29	1
29	11	30	1
30	11	31	1
31	11	32	1
32	13	33	1
33	14	34	1
34	15	35	1
35	16	36	1
36	16	37	1
37	16	38	1
38	17	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1