@<TRIPOS>MOLECULE
DB05246
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.2167     0.5171    -1.8262	O.2	1	noname	-0.2844
2	C1    -2.0460    -0.4005    -0.9947	C.2	1	noname	0.0885
3	N1    -3.0857    -1.2918    -0.4565	N.3	1	noname	0.0826
4	C2    -0.7086    -0.8052    -0.3459	C.3	1	noname	0.0749
5	C3    -2.3927    -2.5471    -0.1333	C.2	1	noname	0.0844
6	C4    -4.4553    -1.0031    -0.2869	C.3	1	noname	0.0021
7	C5    -0.4405    -0.1191     0.9949	C.2	1	noname	-0.0484
8	C6    -0.8762    -2.3342    -0.2765	C.3	1	noname	0.0396
9	C7     0.3093    -0.5987    -1.5032	C.3	1	noname	-0.0466
10	O2    -2.9467    -3.6157     0.2038	O.2	1	noname	-0.2877
11	C8    -1.3483    -0.3218     2.1113	C.2	1	noname	-0.0530
12	C9     0.6847     0.7750     1.2066	C.2	1	noname	-0.0530
13	C10    -1.1833     0.3134     3.3736	C.2	1	noname	-0.0595
14	C11     0.8809     1.4283     2.4545	C.2	1	noname	-0.0595
15	C12    -0.0593     1.1832     3.5019	C.2	1	noname	-0.0614
16	H1    -4.6873    -0.9542     0.7770	H	1	noname	0.0404
17	H2    -4.6852    -0.0451    -0.7533	H	1	noname	0.0404
18	H3    -5.0523    -1.7868    -0.7533	H	1	noname	0.0404
19	H4    -0.5705    -2.7479    -1.2375	H	1	noname	0.0375
20	H5    -0.4023    -2.6811     0.6418	H	1	noname	0.0375
21	H6     0.6373    -1.5690    -1.8761	H	1	noname	0.0244
22	H7    -0.1663    -0.0411    -2.3101	H	1	noname	0.0244
23	H8     1.1703    -0.0411    -1.1345	H	1	noname	0.0244
24	H9    -2.2025    -0.9889     1.9950	H	1	noname	0.0625
25	H10     1.4016     0.9609     0.4069	H	1	noname	0.0625
26	H11    -1.8785     0.1432     4.1957	H	1	noname	0.0622
27	H12     1.7279     2.0979     2.6040	H	1	noname	0.0622
28	H13     0.0898     1.6900     4.4554	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	5	8	1
11	7	11	2
12	7	12	1
13	11	13	1
14	12	14	2
15	13	15	2
16	14	15	1
17	6	16	1
18	6	17	1
19	6	18	1
20	8	19	1
21	8	20	1
22	9	21	1
23	9	22	1
24	9	23	1
25	11	24	1
26	12	25	1
27	13	26	1
28	14	27	1
29	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1