@<TRIPOS>MOLECULE
DB00943
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.8578     0.0427    -1.6779	O.2	1	noname	-0.2488
2	C1     0.7913     0.6999    -0.6167	C.2	1	noname	0.1019
3	N1     1.2461     1.9913    -0.5548	N.2	1	noname	-0.1588
4	N2     0.2581     0.1492     0.5287	N.3	1	noname	0.0543
5	C2     1.1890     2.7407     0.5990	C.2	1	noname	-0.0358
6	C3     0.1708     0.8924     1.7012	C.2	1	noname	-0.0524
7	C4    -0.2274    -1.2029     0.4139	C.3	1	noname	0.1230
8	N3     1.6626     3.9941     0.5830	N.3	1	noname	-0.1313
9	C5     0.6437     2.2266     1.8059	C.2	1	noname	-0.0084
10	O2    -1.6072    -1.1917     0.0362	O.3	1	noname	-0.3565
11	C6    -0.1391    -2.1634     1.6224	C.3	1	noname	-0.0096
12	C7    -1.9234    -2.5827     0.1201	C.3	1	noname	0.0829
13	C8    -1.2531    -3.1700     1.3677	C.3	1	noname	-0.0206
14	C9    -3.4399    -2.7554     0.2268	C.3	1	noname	0.0695
15	O3    -4.0618    -2.1970    -0.9211	O.3	1	noname	-0.3935
16	H1    -0.2839     0.4127     2.5679	H	1	noname	0.0759
17	H2     0.4454    -1.5392    -0.3750	H	1	noname	0.0787
18	H3     2.6593     4.1573     0.5769	H	1	noname	0.1257
19	H4     1.0228     4.7756     0.5769	H	1	noname	0.1257
20	H5     0.5927     2.8038     2.7291	H	1	noname	0.0666
21	H6     0.8098    -2.6965     1.5650	H	1	noname	0.0308
22	H7    -0.3963    -1.6037     2.5216	H	1	noname	0.0308
23	H8    -1.5420    -3.0369    -0.7944	H	1	noname	0.0628
24	H9    -0.7982    -4.1235     1.0995	H	1	noname	0.0295
25	H10    -1.9587    -3.1168     2.1969	H	1	noname	0.0295
26	H11    -3.6619    -3.8218     0.1880	H	1	noname	0.0590
27	H12    -3.7897    -2.1561     1.0675	H	1	noname	0.0590
28	H13    -4.3715    -2.9033    -1.4928	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	7	4	1
7	5	8	1
8	5	9	1
9	6	9	2
10	7	10	1
11	7	11	1
12	10	12	1
13	11	13	1
14	12	14	1
15	12	13	1
16	14	15	1
17	6	16	1
18	7	17	1
19	8	18	1
20	8	19	1
21	9	20	1
22	11	21	1
23	11	22	1
24	12	23	1
25	13	24	1
26	13	25	1
27	14	26	1
28	14	27	1
29	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1