@<TRIPOS>MOLECULE
76969125
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3590    -2.1451     0.5907	O.2	1	noname	-0.2785
2	O2    -3.9821     0.5153    -0.2750	O.2	1	noname	-0.2645
3	N1     1.3319     0.2907     0.3582	N.3	1	noname	0.0017
4	N2    -1.9450     1.5276    -0.1005	N.3	1	noname	-0.0884
5	N3    -2.1651    -0.8132     0.1428	N.3	1	noname	0.0969
6	N4     0.4036     2.2910    -0.0091	N.2	1	noname	-0.1984
7	C1     0.0012     0.1399     0.3023	C.2	1	noname	-0.0042
8	C2    -0.5919     1.3838     0.0691	C.2	1	noname	0.0872
9	C3    -0.8268    -1.0096     0.3576	C.2	1	noname	0.0714
10	C4     1.5591     1.6068     0.1475	C.2	1	noname	-0.0172
11	C5    -2.7505     0.4167    -0.0860	C.2	1	noname	0.0899
12	C6     2.2941    -0.7138     0.5887	C.3	1	noname	-0.0510
13	C7    -2.5048     2.8080    -0.2883	C.3	1	noname	0.0022
14	H1     2.4863     2.0304     0.1112	H	1	noname	0.1016
15	H2    -2.7424    -1.5926     0.1520	H	1	noname	0.1418
16	H3     2.9701    -0.7720    -0.2643	H	1	noname	0.0436
17	H4     1.7935    -1.6729     0.7217	H	1	noname	0.0436
18	H5     2.8626    -0.4731     1.4870	H	1	noname	0.0436
19	H6    -2.2824     3.4324     0.5770	H	1	noname	0.0404
20	H7    -3.5850     2.7189    -0.4040	H	1	noname	0.0404
21	H8    -2.0799     3.2626    -1.1832	H	1	noname	0.0404
@<TRIPOS>BOND
1	1	9	2
2	2	11	2
3	3	7	1
4	3	10	1
5	3	12	1
6	4	8	1
7	4	11	1
8	4	13	1
9	5	9	1
10	5	11	1
11	5	15	1
12	6	8	1
13	6	10	2
14	7	8	2
15	7	9	1
16	10	14	1
17	12	16	1
18	12	17	1
19	12	18	1
20	13	19	1
21	13	20	1
22	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1