@<TRIPOS>MOLECULE
72710635
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3179     2.4127     0.8396	O.3	1	noname	-0.2137
2	O2    -1.5772     1.9573    -0.9713	O.2	1	noname	-0.2492
3	O3    -1.0655    -2.8444    -2.1513	O.3	1	noname	-0.2184
4	O4     0.1937    -2.3890    -0.3404	O.2	1	noname	-0.2553
5	O5     3.0718     0.0508     0.7347	O.2	1	noname	-0.2942
6	N1     1.0431     0.0920    -0.2223	N.3	1	noname	-0.0649
7	N2     1.2849     0.1911     2.0839	N.3	1	noname	-0.0826
8	C1    -0.3579     0.1586    -0.0783	C.3	1	noname	0.1104
9	C2    -1.0255    -0.5904    -1.2334	C.3	1	noname	0.0589
10	C3    -0.7828     1.5554    -0.0938	C.2	1	noname	0.1443
11	C4    -0.6006    -1.9871    -1.2179	C.2	1	noname	0.1358
12	C5     1.8298     0.1099     0.8623	C.2	1	noname	-0.0411
13	H1    -0.6481    -0.2990     0.8674	H	1	noname	0.0584
14	H2    -2.1086    -0.5388    -1.1220	H	1	noname	0.0394
15	H3    -0.7353    -0.1327    -2.1791	H	1	noname	0.0394
16	H4     1.4376     0.0332    -1.1066	H	1	noname	0.1332
17	H5     0.3211     0.2369     2.1829	H	1	noname	0.1285
18	H6     1.8543     0.2040     2.8690	H	1	noname	0.1285
19	H7    -0.2149     3.3632     0.6240	H	1	noname	0.2213
20	H8    -0.5137    -3.6012    -2.4397	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	19	1
3	2	10	2
4	3	11	1
5	3	20	1
6	4	11	2
7	5	12	2
8	8	6	1
9	6	12	1
10	6	16	1
11	7	12	1
12	7	17	1
13	7	18	1
14	8	9	1
15	8	10	1
16	8	13	1
17	9	11	1
18	9	14	1
19	9	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1