@<TRIPOS>MOLECULE
DB06851
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.0938     0.0368    -0.1799	N.2	1	noname	-0.2519
2	C1     1.4423     0.2298    -0.4318	C.2	1	noname	0.0057
3	C2    -0.5723     0.5045     0.9413	C.2	1	noname	-0.0025
4	C3     2.2247     0.9634     0.5225	C.2	1	noname	-0.0137
5	C4     0.1670     1.2440     1.9249	C.2	1	noname	-0.0244
6	C5     1.5620     1.4581     1.6900	C.2	1	noname	-0.0328
7	C6     3.6499     1.1969     0.3086	C.3	1	noname	0.0266
8	N2     3.8275     2.4034    -0.3993	N.3	1	noname	-0.1425
9	C7     5.1356     2.6177    -0.5956	C.2	1	noname	-0.0358
10	C8     5.5593     3.7533    -1.2761	C.2	1	noname	-0.0696
11	C9     6.0687     1.7046    -0.1187	C.2	1	noname	-0.0696
12	C10     6.9162     3.9757    -1.4797	C.2	1	noname	-0.0654
13	C11     7.4256     1.9269    -0.3223	C.2	1	noname	-0.0654
14	C12     7.8494     3.0625    -1.0028	C.2	1	noname	-0.0927
15	H1     1.8715    -0.1800    -1.3461	H	1	noname	0.0842
16	H2    -1.6375     0.2985     1.0455	H	1	noname	0.0839
17	H3    -0.3159     1.6308     2.8223	H	1	noname	0.0638
18	H4     2.1397     2.0175     2.4258	H	1	noname	0.0627
19	H5     4.1053     1.3493     1.2872	H	1	noname	0.0482
20	H6     4.0151     0.4048    -0.3451	H	1	noname	0.0482
21	H7     3.1087     3.0340    -0.7245	H	1	noname	0.1285
22	H8     4.8275     4.4694    -1.6500	H	1	noname	0.0639
23	H9     5.7364     0.8141     0.4149	H	1	noname	0.0639
24	H10     7.2485     4.8661    -2.0133	H	1	noname	0.0623
25	H11     8.1574     1.2108     0.0516	H	1	noname	0.0623
26	H12     8.9134     3.2369    -1.1625	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	3	5	2
5	4	6	2
6	4	7	1
7	5	6	1
8	7	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	2
14	12	14	2
15	13	14	1
16	2	15	1
17	3	16	1
18	5	17	1
19	6	18	1
20	7	19	1
21	7	20	1
22	8	21	1
23	10	22	1
24	11	23	1
25	12	24	1
26	13	25	1
27	14	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1