@<TRIPOS>MOLECULE
55287535
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4225    -2.6280    -0.8740	O.2	1	noname	-0.2977
2	O2    -2.7792     1.9551    -0.9599	O.3	1	noname	-0.2214
3	O3    -2.6707     0.2438     0.5003	O.2	1	noname	-0.2627
4	N1     1.7820    -1.2245    -0.2640	N.3	1	noname	-0.0787
5	C1     1.3948     0.0451     0.2117	C.3	1	noname	0.0212
6	C2    -0.0295     0.0963     0.3286	C.2	1	noname	-0.0211
7	C3     3.0793    -1.5025    -0.4523	C.2	1	noname	0.0367
8	C4     4.0918    -0.4907    -0.1648	C.3	1	noname	0.0095
9	C5    -0.7219     0.9946    -0.3660	C.2	1	noname	0.0518
10	C6    -2.0764     1.0433    -0.2548	C.2	1	noname	0.0895
11	H1     1.8461     0.2203     1.1883	H	1	noname	0.0477
12	H2     1.7299     0.8123    -0.4863	H	1	noname	0.0477
13	H3     1.1093    -1.8968    -0.4550	H	1	noname	0.1313
14	H4    -0.5001    -0.5369     0.9267	H	1	noname	0.0591
15	H5     4.7705    -0.8635     0.6023	H	1	noname	0.0324
16	H6     3.6065     0.4184     0.1903	H	1	noname	0.0324
17	H7     4.6543    -0.2715    -1.0723	H	1	noname	0.0324
18	H8    -0.2512     1.6278    -0.9640	H	1	noname	0.0683
19	H9    -3.6950     1.7541    -1.2453	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	7	2
2	2	10	1
3	2	19	1
4	3	10	2
5	4	5	1
6	4	7	1
7	4	13	1
8	5	6	1
9	5	11	1
10	5	12	1
11	6	9	2
12	6	14	1
13	7	8	1
14	8	15	1
15	8	16	1
16	8	17	1
17	9	10	1
18	9	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1