@<TRIPOS>MOLECULE
DB04105
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.3250    -2.5770     0.0000	O.2	1	noname	-0.3031
2	C1     4.1050    -2.5770     0.0000	C.2	1	noname	0.0295
3	N1     3.4500    -1.4425     0.0000	N.3	1	noname	-0.0860
4	C2     2.0400    -1.4425     0.0000	C.3	1	noname	0.0024
5	C3     1.5300     0.0000     0.0000	C.3	1	noname	-0.0402
6	C4     0.0000     0.0000     0.0000	C.3	1	noname	-0.0521
7	C5    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0532
8	C6    -2.0400     1.4425     0.0000	C.3	1	noname	-0.0535
9	C7    -2.5500     2.8850     0.0000	C.3	1	noname	-0.0561
10	C8    -4.0800     2.8850     0.0000	C.3	1	noname	-0.0654
11	H1     3.6191    -3.5527     0.0000	H	1	noname	0.1230
12	H2     4.0096    -0.6017     0.0000	H	1	noname	0.1306
13	H3     1.7515    -1.9049    -0.9440	H	1	noname	0.0432
14	H4     1.7515    -1.9049     0.9440	H	1	noname	0.0432
15	H5     1.8447     0.4450     0.9440	H	1	noname	0.0279
16	H6     1.8447     0.4450    -0.9440	H	1	noname	0.0279
17	H7    -0.3147    -0.4450    -0.9440	H	1	noname	0.0267
18	H8    -0.3147    -0.4450     0.9440	H	1	noname	0.0267
19	H9    -0.1953     1.8875     0.9440	H	1	noname	0.0266
20	H10    -0.1953     1.8875    -0.9440	H	1	noname	0.0266
21	H11    -2.3547     0.9975    -0.9440	H	1	noname	0.0266
22	H12    -2.3547     0.9975     0.9440	H	1	noname	0.0266
23	H13    -2.2353     3.3300     0.9440	H	1	noname	0.0264
24	H14    -2.2353     3.3300    -0.9440	H	1	noname	0.0264
25	H15    -4.4433     2.8850     1.0277	H	1	noname	0.0230
26	H16    -4.4433     3.7750    -0.5138	H	1	noname	0.0230
27	H17    -4.4433     1.9950    -0.5138	H	1	noname	0.0230
@<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	7	8	1
8	8	9	1
9	9	10	1
10	2	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	8	21	1
21	8	22	1
22	9	23	1
23	9	24	1
24	10	25	1
25	10	26	1
26	10	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1