@<TRIPOS>MOLECULE
DB07496
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.1067    -0.7699     1.6600	O.2	1	noname	-0.2544
2	C1    -1.5417    -1.2067     0.5726	C.2	1	noname	0.1199
3	N1    -0.9218    -0.8906    -0.5726	N.3	1	noname	-0.1265
4	N2    -2.6280    -1.9911     0.5520	N.3	1	noname	-0.1265
5	C2     0.1645    -0.1062    -0.5520	C.2	1	noname	-0.0215
6	C3    -3.2479    -2.3072     1.6971	C.2	1	noname	-0.0215
7	C4     1.0090    -0.1175     0.5520	C.2	1	noname	-0.0346
8	C5     0.4467     0.7187    -1.6345	C.2	1	noname	-0.0346
9	C6    -4.3747    -3.1208     1.6757	C.2	1	noname	-0.0346
10	C7    -2.7642    -1.8215     2.9063	C.2	1	noname	-0.0346
11	C8     2.1358     0.6961     0.5733	C.2	1	noname	-0.0540
12	C9     1.5735     1.5323    -1.6132	C.2	1	noname	-0.0540
13	C10    -5.0178    -3.4488     2.8636	C.2	1	noname	-0.0540
14	C11    -3.4073    -2.1495     4.0942	C.2	1	noname	-0.0540
15	C12     2.4181     1.5211    -0.5092	C.2	1	noname	-0.0606
16	C13    -4.5341    -2.9631     4.0728	C.2	1	noname	-0.0606
17	H1    -1.2733    -1.2435    -1.4512	H	1	noname	0.1385
18	H2    -2.9795    -2.3440    -0.3267	H	1	noname	0.1385
19	H3     0.7877    -0.7644     1.4009	H	1	noname	0.0639
20	H4    -0.2156     0.7276    -2.5002	H	1	noname	0.0639
21	H5    -4.7540    -3.5017     0.7275	H	1	noname	0.0639
22	H6    -1.8806    -1.1835     2.9231	H	1	noname	0.0639
23	H7     2.7981     0.6873     1.4390	H	1	noname	0.0623
24	H8     1.7948     2.1792    -2.4621	H	1	noname	0.0623
25	H9    -5.9014    -4.0868     2.8468	H	1	noname	0.0623
26	H10    -3.0280    -1.7686     5.0424	H	1	noname	0.0623
27	H11     3.3017     2.1591    -0.4925	H	1	noname	0.0622
28	H12    -5.0384    -3.2202     5.0043	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	9	13	1
13	10	14	2
14	11	15	2
15	12	15	1
16	13	16	2
17	14	16	1
18	3	17	1
19	4	18	1
20	7	19	1
21	8	20	1
22	9	21	1
23	10	22	1
24	11	23	1
25	12	24	1
26	13	25	1
27	14	26	1
28	15	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1