@<TRIPOS>MOLECULE
72942032
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1711    -1.0740    -0.1119	O.3	1	noname	-0.2201
2	O2    -0.4947    -2.4549     0.4839	O.2	1	noname	-0.2610
3	N1     3.5554    -1.1486    -0.5314	N.3	1	noname	-0.3301
4	C1     1.4005    -0.5261     0.4374	C.3	1	noname	-0.0098
5	C2     2.1489    -0.8997    -0.8436	C.3	1	noname	-0.0034
6	C3     0.0249    -0.2827     0.1321	C.2	1	noname	0.0537
7	C4    -0.3770     0.9421    -0.1952	C.2	1	noname	-0.0257
8	C5    -0.8725    -1.3037     0.1763	C.2	1	noname	0.0927
9	C6     0.5665     2.0157    -0.2417	C.3	1	noname	-0.0462
10	H1     1.4745    -1.3447     1.1533	H	1	noname	0.0331
11	H2     1.8420     0.3732     0.8670	H	1	noname	0.0331
12	H3     1.7075    -1.7990    -1.2732	H	1	noname	0.0429
13	H4     2.0750    -0.0811    -1.5595	H	1	noname	0.0429
14	H5    -1.3294     1.1106    -0.4066	H	1	noname	0.0577
15	H6     4.0553    -1.3981    -1.3872	H	1	noname	0.1184
16	H7     3.6247    -1.9161     0.1398	H	1	noname	0.1184
17	H8     0.2721     2.7891     0.4677	H	1	noname	0.0273
18	H9     0.5902     2.4352    -1.2475	H	1	noname	0.0273
19	H10     1.5563     1.6411     0.0191	H	1	noname	0.0273
20	H11    -2.7184    -1.7843    -0.5073	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	8	1
2	1	20	1
3	2	8	2
4	3	5	1
5	3	15	1
6	3	16	1
7	4	5	1
8	4	6	1
9	4	10	1
10	4	11	1
11	5	12	1
12	5	13	1
13	6	7	2
14	6	8	1
15	7	9	1
16	7	14	1
17	9	17	1
18	9	18	1
19	9	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1