@<TRIPOS>MOLECULE
90695469
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4856     2.5375    -0.1102	O.3	1	noname	-0.2212
2	O2     3.9335    -2.3756     0.0629	O.2	1	noname	-0.3005
3	O3    -2.5596     0.2885    -0.0150	O.2	1	noname	-0.2624
4	N1     4.1019    -0.1405    -0.0323	N.3	1	noname	-0.0909
5	C1     1.4105    -0.0004    -0.0239	C.2	1	noname	-0.0237
6	C2     0.0825     0.0731    -0.0200	C.2	1	noname	-0.0163
7	C3     2.0111    -1.1861     0.0229	C.2	1	noname	0.0217
8	C4    -0.5181     1.2588    -0.0668	C.2	1	noname	0.0551
9	C5     3.3690    -1.2612     0.0189	C.2	1	noname	0.0102
10	C6    -1.8760     1.3339    -0.0627	C.2	1	noname	0.0906
11	H1     1.9519     0.8276    -0.0617	H	1	noname	0.0624
12	H2    -0.4589    -0.7549     0.0178	H	1	noname	0.0624
13	H3     1.4697    -2.0141     0.0607	H	1	noname	0.0674
14	H4     0.0234     2.0868    -0.1045	H	1	noname	0.0686
15	H5     3.6638     0.7243    -0.0664	H	1	noname	0.1274
16	H6     5.0704    -0.1940    -0.0352	H	1	noname	0.1274
17	H7    -3.3604     2.6607     0.3139	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