@<TRIPOS>MOLECULE
DB03061
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6157    -2.7126     0.1623	O.2	1	noname	-0.3029
2	C1     3.1310    -1.6045     0.3223	C.2	1	noname	0.0303
3	N1     2.0877    -1.2383    -0.3803	N.3	1	noname	-0.0840
4	C2     1.5276     0.0424    -0.1954	C.3	1	noname	0.0109
5	C3     0.0716    -0.0977     0.2534	C.3	1	noname	-0.0376
6	C4     1.5826     0.8182    -1.5130	C.3	1	noname	-0.0493
7	C5    -0.5362     1.2919     0.4540	C.3	1	noname	-0.0518
8	C6    -1.9922     1.1518     0.9029	C.3	1	noname	-0.0535
9	C7    -2.6001     2.5414     1.1035	C.3	1	noname	-0.0561
10	C8    -4.0560     2.4013     1.5524	C.3	1	noname	-0.0654
11	H1     3.6114    -0.9664     1.0640	H	1	noname	0.1230
12	H2     1.7297    -1.9160    -1.0380	H	1	noname	0.1310
13	H3     2.1408     0.5129     0.5731	H	1	noname	0.0466
14	H4    -0.4688    -0.5614    -0.5718	H	1	noname	0.0282
15	H5     0.0888    -0.5779     1.2318	H	1	noname	0.0282
16	H6     1.6175     0.1166    -2.3465	H	1	noname	0.0246
17	H7     0.6956     1.4453    -1.6027	H	1	noname	0.0246
18	H8     2.4740     1.4453    -1.5284	H	1	noname	0.0246
19	H9     0.0042     1.7556     1.2793	H	1	noname	0.0267
20	H10    -0.5534     1.7721    -0.5244	H	1	noname	0.0267
21	H11    -2.5326     0.6881     0.0777	H	1	noname	0.0266
22	H12    -1.9750     0.6716     1.8813	H	1	noname	0.0266
23	H13    -2.0596     3.0052     1.9287	H	1	noname	0.0264
24	H14    -2.6172     3.0216     0.1251	H	1	noname	0.0264
25	H15    -4.1016     2.3969     2.6414	H	1	noname	0.0230
26	H16    -4.6371     3.2395     1.1677	H	1	noname	0.0230
27	H17    -4.4665     1.4677     1.1677	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	3	1
4	4	5	1
5	4	6	1
6	5	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	5	14	1
14	5	15	1
15	6	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