@<TRIPOS>MOLECULE
DB06937
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3692     0.1910     0.1056	O.3	1	noname	-0.3244
2	N1     1.4877     1.4963     0.0860	N.2	1	noname	-0.1391
3	C1     0.0597    -0.1133     0.0274	C.2	1	noname	0.0810
4	C2     0.2922     2.1159    -0.0256	C.2	1	noname	0.0910
5	C3    -0.6422     1.0992    -0.1034	C.2	1	noname	0.0469
6	C4    -0.5989    -1.3711     0.0819	C.2	1	noname	0.0424
7	C5     0.0523     3.4847    -0.0558	C.2	1	noname	-0.0144
8	C6    -2.0530     1.1387    -0.2714	C.2	1	noname	-0.0061
9	C7    -2.0179    -1.3477    -0.0928	C.2	1	noname	0.0214
10	C8     0.9009     4.3540     0.6196	C.2	1	noname	0.0372
11	C9    -1.0362     3.9841    -0.7613	C.2	1	noname	-0.0107
12	C10    -2.7290    -0.1172    -0.2728	C.2	1	noname	-0.0139
13	O2    -2.7027    -2.5111    -0.0881	O.3	1	noname	-0.2836
14	O3     1.9581     3.8690     1.3048	O.3	1	noname	-0.2785
15	C11     0.6610     5.7229     0.5894	C.2	1	noname	0.0033
16	C12    -1.2761     5.3529    -0.7915	C.2	1	noname	-0.0357
17	C13    -0.4275     6.2223    -0.1162	C.2	1	noname	0.0201
18	O4    -0.6605     7.5517    -0.1455	O.3	1	noname	-0.2831
19	H1    -0.0491    -2.2975     0.2477	H	1	noname	0.0678
20	H2    -2.5874     2.0810    -0.3926	H	1	noname	0.0631
21	H3    -1.7017     3.3023    -1.2909	H	1	noname	0.0631
22	H4    -3.8097    -0.1371    -0.4140	H	1	noname	0.0650
23	H5    -2.8634    -2.7841     0.8181	H	1	noname	0.2181
24	H6     1.7912     3.9456     2.2471	H	1	noname	0.2182
25	H7     1.3265     6.4046     1.1190	H	1	noname	0.0677
26	H8    -2.1297     5.7445    -1.3448	H	1	noname	0.0650
27	H9    -0.7191     7.8862     0.7524	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	4	5	1
8	5	8	1
9	6	9	2
10	7	10	2
11	7	11	1
12	8	12	2
13	9	13	1
14	9	12	1
15	10	14	1
16	10	15	1
17	11	16	2
18	15	17	2
19	16	17	1
20	17	18	1
21	6	19	1
22	8	20	1
23	11	21	1
24	12	22	1
25	13	23	1
26	14	24	1
27	15	25	1
28	16	26	1
29	18	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1