@<TRIPOS>MOLECULE
DB07462
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0019    -0.2040    -1.9771	O.2	1	noname	-0.1405
2	N1    -0.8694    -0.0982    -1.7248	N.2	1	noname	0.0049
3	O2    -0.0946    -0.3135    -2.7013	O.3	1	noname	-0.1405
4	C1    -0.2497     0.2090    -0.5907	C.2	1	noname	0.0949
5	C2     1.0731    -0.3178    -0.5619	C.2	1	noname	0.1099
6	C3    -0.7402     0.9422     0.5582	C.2	1	noname	0.0565
7	O3     1.6229    -0.9240    -1.6442	O.3	1	noname	-0.2583
8	C4     1.8404    -0.2423     0.6170	C.2	1	noname	0.0586
9	C5    -1.9793     1.6930     0.6175	C.2	1	noname	0.0780
10	C6     0.0602     0.9617     1.7349	C.2	1	noname	-0.0026
11	O4     3.0682    -0.8038     0.6387	O.3	1	noname	-0.2719
12	C7     1.3348     0.3679     1.7791	C.2	1	noname	0.0170
13	O5    -2.6852     1.5749     1.6593	O.2	1	noname	-0.2940
14	C8    -2.5366     2.4339    -0.4914	C.2	1	noname	-0.0165
15	C9    -3.9659     2.6606    -0.5740	C.2	1	noname	-0.0182
16	C10    -1.7189     2.7759    -1.6365	C.2	1	noname	-0.0182
17	C11    -4.5690     3.0417    -1.8168	C.2	1	noname	-0.0476
18	C12    -2.3027     3.1734    -2.8779	C.2	1	noname	-0.0476
19	C13    -3.7281     3.2484    -2.9529	C.2	1	noname	-0.0415
20	H1     1.5695    -1.8767    -1.5390	H	1	noname	0.2183
21	H2    -0.3164     1.4488     2.6343	H	1	noname	0.0632
22	H3     3.3460    -0.9308     1.5488	H	1	noname	0.2183
23	H4     1.9207     0.3804     2.6981	H	1	noname	0.0651
24	H5    -4.5946     2.5432     0.3086	H	1	noname	0.0630
25	H6    -0.6323     2.7329    -1.5620	H	1	noname	0.0630
26	H7    -5.6482     3.1721    -1.8965	H	1	noname	0.0622
27	H8    -1.6804     3.4119    -3.7403	H	1	noname	0.0622
28	H9    -4.1916     3.4719    -3.9138	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	1
9	6	10	2
10	8	11	1
11	8	12	2
12	9	13	2
13	9	14	1
14	10	12	1
15	14	15	2
16	14	16	1
17	15	17	1
18	16	18	2
19	17	19	2
20	18	19	1
21	7	20	1
22	10	21	1
23	11	22	1
24	12	23	1
25	15	24	1
26	16	25	1
27	17	26	1
28	18	27	1
29	19	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1