@<TRIPOS>MOLECULE
DB06594
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.4640    -4.4880     1.5639	O.2	1	noname	-0.2980
2	C1     3.7992    -3.4428     1.7311	C.2	1	noname	0.0357
3	N1     3.3480    -2.7588     0.6708	N.3	1	noname	-0.0813
4	C2     3.5143    -2.9671     3.0818	C.3	1	noname	0.0095
5	C3     2.5981    -1.5798     0.8595	C.3	1	noname	0.0067
6	C4     2.2090    -0.9996    -0.5017	C.3	1	noname	-0.0142
7	C5     1.4325     0.2213    -0.3063	C.2	1	noname	-0.0379
8	C6     0.0482     0.1548    -0.1993	C.2	1	noname	-0.0289
9	C7     2.0775     1.4500    -0.2273	C.2	1	noname	-0.0513
10	C8    -0.6911     1.3172    -0.0133	C.2	1	noname	-0.0490
11	C9    -0.5968    -1.0739    -0.2782	C.2	1	noname	-0.0157
12	C10     1.3382     2.6124    -0.0413	C.2	1	noname	-0.0554
13	C11    -2.0754     1.2507     0.0938	C.2	1	noname	-0.0376
14	C12    -0.0461     2.5459     0.0657	C.2	1	noname	-0.0496
15	C13    -1.9811    -1.1403    -0.1712	C.2	1	noname	0.0047
16	C14    -2.7204     0.0220     0.0148	C.2	1	noname	-0.0259
17	O2    -2.6075    -2.3337    -0.2479	O.3	1	noname	-0.2768
18	C15    -2.7178    -2.8949     1.0518	C.3	1	noname	0.0423
19	H1     3.5673    -3.1221    -0.2457	H	1	noname	0.1309
20	H2     3.3743    -3.8204     3.7455	H	1	noname	0.0324
21	H3     4.3488    -2.3630     3.4378	H	1	noname	0.0324
22	H4     2.6071    -2.3630     3.0704	H	1	noname	0.0324
23	H5     1.6868    -1.8957     1.3673	H	1	noname	0.0436
24	H6     3.2781    -0.8800     1.3453	H	1	noname	0.0436
25	H7     3.1269    -0.6939    -1.0038	H	1	noname	0.0329
26	H8     1.5356    -1.7095    -0.9818	H	1	noname	0.0329
27	H9     3.1630     1.5021    -0.3112	H	1	noname	0.0625
28	H10    -0.0171    -1.9854    -0.4241	H	1	noname	0.0656
29	H11     1.8440     3.5759     0.0206	H	1	noname	0.0622
30	H12    -2.6551     2.1622     0.2396	H	1	noname	0.0630
31	H13    -0.6258     3.4574     0.2116	H	1	noname	0.0629
32	H14    -3.8059    -0.0301     0.0987	H	1	noname	0.0650
33	H15    -2.7116    -3.9825     0.9798	H	1	noname	0.0535
34	H16    -1.8763    -2.5664     1.6619	H	1	noname	0.0535
35	H17    -3.6499    -2.5664     1.5115	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	7	9	2
9	8	10	1
10	8	11	2
11	9	12	1
12	10	13	2
13	10	14	1
14	11	15	1
15	12	14	2
16	13	16	1
17	15	17	1
18	15	16	2
19	17	18	1
20	3	19	1
21	4	20	1
22	4	21	1
23	4	22	1
24	5	23	1
25	5	24	1
26	6	25	1
27	6	26	1
28	9	27	1
29	11	28	1
30	12	29	1
31	13	30	1
32	14	31	1
33	16	32	1
34	18	33	1
35	18	34	1
36	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1