@<TRIPOS>MOLECULE
57516612
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0034     0.2489    -3.7585	O.3	1	noname	-0.2139
2	O2     1.1762     1.3274    -2.3296	O.2	1	noname	-0.2494
3	N1    -1.8683    -0.1149    -1.5004	N.3	1	noname	-0.3189
4	C1     0.0214     0.1022     0.1972	C.3	1	noname	-0.0077
5	C2     1.5364     0.0079     0.4941	C.3	1	noname	-0.0452
6	C3     0.8175     1.3619     0.6376	C.3	1	noname	-0.0452
7	C4    -0.4033    -0.2052    -1.3009	C.3	1	noname	0.0967
8	C5    -0.8765    -0.4948     1.3067	C.3	1	noname	-0.0576
9	C6     0.2657     0.4825    -2.4566	C.2	1	noname	0.1440
10	H1     1.9161    -0.4085     1.4346	H	1	noname	0.0273
11	H2     2.1481    -0.1563    -0.4001	H	1	noname	0.0273
12	H3     0.7361     1.7182     1.6792	H	1	noname	0.0273
13	H4     1.0606     2.1119    -0.1090	H	1	noname	0.0273
14	H5    -0.1882    -1.2616    -1.4649	H	1	noname	0.0577
15	H6    -1.9235    -0.3896     1.0226	H	1	noname	0.0237
16	H7    -0.6988     0.0354     2.2423	H	1	noname	0.0237
17	H8    -0.6396    -1.5508     1.4368	H	1	noname	0.0237
18	H9    -2.0926    -0.3200    -2.4762	H	1	noname	0.1192
19	H10    -2.3370    -0.7909    -0.8938	H	1	noname	0.1192
20	H11     0.4861     0.8062    -4.4096	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	1
2	1	20	1
3	2	9	2
4	7	3	1
5	3	18	1
6	3	19	1
7	4	5	1
8	4	6	1
9	4	7	1
10	4	8	1
11	5	6	1
12	5	10	1
13	5	11	1
14	6	12	1
15	6	13	1
16	7	9	1
17	7	14	1
18	8	15	1
19	8	16	1
20	8	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1