@<TRIPOS>MOLECULE
55281424
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.7727     2.3797     0.1038	O.3	1	noname	-0.2212
2	O2     3.8062    -2.0183     0.0632	O.2	1	noname	-0.3005
3	O3    -0.6370     2.8162    -0.0567	O.2	1	noname	-0.2624
4	N1     1.7507    -2.6983     0.0086	N.3	1	noname	-0.0909
5	C1     1.1956     0.4130    -0.0136	C.2	1	noname	-0.0237
6	C2    -0.0716    -0.0792    -0.0632	C.2	1	noname	-0.0163
7	C3     2.3525    -0.2842     0.0238	C.2	1	noname	0.0217
8	C4    -1.2534     0.5713    -0.0930	C.2	1	noname	0.0551
9	C5     2.6107    -1.6532     0.0306	C.2	1	noname	0.0102
10	C6    -1.5134     1.9309    -0.0312	C.2	1	noname	0.0906
11	H1     1.3051     1.4010    -0.0056	H	1	noname	0.0624
12	H2    -0.1726    -1.0510    -0.0524	H	1	noname	0.0624
13	H3     3.1640     0.2878     0.0503	H	1	noname	0.0674
14	H4    -2.0821     0.0037    -0.1351	H	1	noname	0.0686
15	H5     0.7935    -2.6187    -0.0167	H	1	noname	0.1274
16	H6     2.1280    -3.5919     0.0191	H	1	noname	0.1274
17	H7    -2.9163     3.3536     0.1610	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	10	1
2	1	17	1
3	2	9	2
4	3	10	2
5	4	9	1
6	4	15	1
7	4	16	1
8	5	6	1
9	5	7	2
10	5	11	1
11	6	8	2
12	6	12	1
13	7	9	1
14	7	13	1
15	8	10	1
16	8	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1