@<TRIPOS>MOLECULE
DB04654
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0940    -4.8874     2.9818	O.2	1	noname	-0.3066
2	C1    -1.6319    -4.1486     2.1280	C.2	1	noname	0.1230
3	C2    -1.6731    -2.7309     2.3108	C.3	1	noname	0.0030
4	C3    -1.0329    -2.0423     1.1037	C.3	1	noname	-0.0464
5	C4    -1.0770    -0.5255     1.2993	C.3	1	noname	-0.0499
6	C5    -0.4368     0.1632     0.0923	C.3	1	noname	-0.0390
7	C6     1.0643    -0.3062    -0.0465	C.3	1	noname	-0.0377
8	C7    -0.7250     1.7139     0.1571	C.3	1	noname	-0.0377
9	C8     2.0068     0.7916    -0.6254	C.3	1	noname	-0.0045
10	C9     0.5139     2.5568     0.5928	C.3	1	noname	-0.0045
11	N1     1.8026     2.1632    -0.0597	N.3	1	noname	-0.3166
12	H1    -1.2218    -4.7019     1.2832	H	1	noname	0.1041
13	H2    -2.7308    -2.4679     2.3252	H	1	noname	0.0343
14	H3    -1.0495    -2.5295     3.1817	H	1	noname	0.0343
15	H4     0.0188    -2.3285     1.0994	H	1	noname	0.0271
16	H5    -1.6625    -2.2670     0.2428	H	1	noname	0.0271
17	H6    -2.1287    -0.2392     1.3037	H	1	noname	0.0269
18	H7    -0.4474    -0.3008     2.1602	H	1	noname	0.0269
19	H8    -0.9065    -0.1590    -0.8371	H	1	noname	0.0303
20	H9     1.4185    -0.4938     0.9671	H	1	noname	0.0282
21	H10     1.0638    -1.1112    -0.7814	H	1	noname	0.0282
22	H11    -0.9486     2.0238    -0.8637	H	1	noname	0.0282
23	H12    -1.4672     1.8518     0.9434	H	1	noname	0.0282
24	H13     3.0185     0.5156    -0.3283	H	1	noname	0.0428
25	H14     1.7556     0.8860    -1.6819	H	1	noname	0.0428
26	H15     0.3290     3.5755     0.2521	H	1	noname	0.0428
27	H16     0.6659     2.3559     1.6533	H	1	noname	0.0428
28	H17     2.5514     2.8384    -0.1195	H	1	noname	0.1222
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	6	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	10	11	1
12	2	12	1
13	3	13	1
14	3	14	1
15	4	15	1
16	4	16	1
17	5	17	1
18	5	18	1
19	6	19	1
20	7	20	1
21	7	21	1
22	8	22	1
23	8	23	1
24	9	24	1
25	9	25	1
26	10	26	1
27	10	27	1
28	11	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1