@<TRIPOS>MOLECULE
57376838
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0987     2.8238     0.2190	O.3	1	noname	-0.2189
2	O2    -2.6921     0.6760    -0.1086	O.2	1	noname	-0.2559
3	C1     1.1570    -0.8476    -0.1954	C.3	1	noname	-0.0530
4	C2    -0.3087    -0.4090    -0.1826	C.3	1	noname	-0.0439
5	C3     1.2348    -2.3606    -0.4093	C.3	1	noname	-0.0561
6	C4    -0.3864     1.1040     0.0313	C.3	1	noname	0.0335
7	C5     2.7005    -2.7992    -0.4220	C.3	1	noname	-0.0654
8	C6    -1.7851     1.5226     0.0435	C.2	1	noname	0.1348
9	H1     1.6214    -0.5910     0.7568	H	1	noname	0.0266
10	H2     1.6815    -0.3389    -1.0042	H	1	noname	0.0266
11	H3    -0.8331    -0.9177     0.6263	H	1	noname	0.0272
12	H4    -0.7730    -0.6657    -1.1347	H	1	noname	0.0272
13	H5     0.7103    -2.8693     0.3996	H	1	noname	0.0264
14	H6     0.7704    -2.6173    -1.3614	H	1	noname	0.0264
15	H7     0.0780     1.3607     0.9834	H	1	noname	0.0372
16	H8     0.1381     1.6127    -0.7776	H	1	noname	0.0372
17	H9     2.7559    -3.8771    -0.5744	H	1	noname	0.0230
18	H10     3.1649    -2.5426     0.5301	H	1	noname	0.0230
19	H11     3.2250    -2.2905    -1.2309	H	1	noname	0.0230
20	H12    -2.9127     3.1905    -0.1852	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	8	1
2	1	20	1
3	2	8	2
4	3	4	1
5	3	5	1
6	3	9	1
7	3	10	1
8	4	6	1
9	4	11	1
10	4	12	1
11	5	7	1
12	5	13	1
13	5	14	1
14	6	8	1
15	6	15	1
16	6	16	1
17	7	17	1
18	7	18	1
19	7	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1