@<TRIPOS>MOLECULE
76956769
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1797     2.0272    -0.6740	O.3	1	noname	-0.1862
2	O2     1.8250    -0.8311     0.0955	O.2	1	noname	-0.2747
3	O3    -1.1250     0.9280    -2.5829	O.2	1	noname	-0.2434
4	N1    -0.4475    -0.2437    -0.5666	N.3	1	noname	0.1185
5	C1     0.9752     1.5223    -0.0106	C.3	1	noname	0.1397
6	C2     0.9193     0.0007    -0.1288	C.2	1	noname	0.1129
7	C3    -1.3268    -1.2989    -0.2482	C.3	1	noname	0.0339
8	C4    -0.6465     0.9147    -1.4282	C.2	1	noname	0.0956
9	C5     2.2330     2.0422    -0.7097	C.3	1	noname	-0.0293
10	C6    -2.0871    -0.9521     0.9122	C.2	1	noname	-0.0853
11	C7    -2.0129    -1.7058     2.0056	C.2	1	noname	-0.0930
12	H1     1.0315     1.8527     1.0265	H	1	noname	0.0705
13	H2    -2.0019    -1.4746    -1.0857	H	1	noname	0.0485
14	H3    -0.7519    -2.2033    -0.0490	H	1	noname	0.0485
15	H4     3.1168     1.6558    -0.2020	H	1	noname	0.0262
16	H5     2.2356     1.7095    -1.7476	H	1	noname	0.0262
17	H6     2.2426     3.1317    -0.6773	H	1	noname	0.0262
18	H7    -2.6687    -0.1510     0.9018	H	1	noname	0.0583
19	H8    -1.4313    -2.5069     2.0160	H	1	noname	0.0535
20	H9    -2.5392    -1.4657     2.8090	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	5	1
2	1	8	1
3	2	6	2
4	3	8	2
5	4	6	1
6	4	7	1
7	4	8	1
8	5	6	1
9	5	9	1
10	5	12	1
11	7	10	1
12	7	13	1
13	7	14	1
14	9	15	1
15	9	16	1
16	9	17	1
17	10	11	2
18	10	18	1
19	11	19	1
20	11	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1