@<TRIPOS>MOLECULE
71587040
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.1270    -0.3784     0.0890	O.3	1	noname	-0.2901
2	C1    -0.1467     0.2494     0.0824	C.3	1	noname	0.0707
3	C2     0.0218     1.6694     0.0902	C.2	1	noname	-0.0720
4	C3    -1.0436     2.4655     0.0859	C.2	1	noname	-0.0800
5	C4    -2.3576     1.9014     0.0735	C.3	1	noname	-0.0469
6	C5     0.9715    -1.6892     0.0818	C.2	1	noname	-0.0504
7	C6     2.0369    -2.4853     0.0860	C.2	1	noname	-0.0390
8	C7     3.3509    -1.9212     0.0985	C.3	1	noname	-0.0447
9	H1    -0.7064    -0.0550     0.9668	H	1	noname	0.0616
10	H2    -0.6930    -0.0467    -0.8131	H	1	noname	0.0616
11	H3     0.9315     2.0599     0.0988	H	1	noname	0.0596
12	H4    -0.9270     3.4486     0.0913	H	1	noname	0.0570
13	H5    -2.8875     2.2344    -0.8190	H	1	noname	0.0273
14	H6    -2.9008     2.2261     0.9609	H	1	noname	0.0273
15	H7    -2.2861     0.8138     0.0690	H	1	noname	0.0273
16	H8     0.0618    -2.0797     0.0731	H	1	noname	0.0891
17	H9     1.9203    -3.4684     0.0806	H	1	noname	0.0593
18	H10     3.8941    -2.2459    -0.7890	H	1	noname	0.0274
19	H11     3.2794    -0.8335     0.1030	H	1	noname	0.0274
20	H12     3.8808    -2.2541     0.9909	H	1	noname	0.0274
@<TRIPOS>BOND
1	1	2	1
2	1	6	1
3	2	3	1
4	2	9	1
5	2	10	1
6	3	4	2
7	3	11	1
8	4	5	1
9	4	12	1
10	5	13	1
11	5	14	1
12	5	15	1
13	6	7	2
14	6	16	1
15	7	8	1
16	7	17	1
17	8	18	1
18	8	19	1
19	8	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1