@<TRIPOS>MOLECULE
67543819
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1047    -1.6461     0.2598	O.3	1	noname	-0.2102
2	O2     0.2231     4.5005    -1.1370	O.3	1	noname	-0.2830
3	O3    -2.0267    -1.2676    -0.3618	O.2	1	noname	-0.2590
4	C1    -0.5971     0.5171    -0.4179	C.2	1	noname	-0.0163
5	C2     0.6750     0.9023    -0.8248	C.2	1	noname	0.0047
6	C3    -1.5931     1.4725    -0.2531	C.2	1	noname	0.0047
7	C4     0.9510     2.2430    -1.0668	C.2	1	noname	-0.0139
8	C5    -1.3171     2.8132    -0.4951	C.2	1	noname	-0.0139
9	C6    -0.0450     3.1984    -0.9019	C.2	1	noname	0.0224
10	C7    -0.8731    -0.8236    -0.1759	C.2	1	noname	0.0834
11	C8    -0.2163    -2.7551     1.0865	C.3	1	noname	0.0457
12	H1     1.4059     0.2012    -0.9457	H	1	noname	0.0632
13	H2    -2.5266     1.1898     0.0454	H	1	noname	0.0632
14	H3     1.8845     2.5257    -1.3653	H	1	noname	0.0650
15	H4    -2.0480     3.5142    -0.3742	H	1	noname	0.0650
16	H5     0.6951    -3.2984     1.3357	H	1	noname	0.0536
17	H6    -0.9007    -3.4174     0.5564	H	1	noname	0.0536
18	H7    -0.6898    -2.4007     2.0021	H	1	noname	0.0536
19	H8     1.1584     4.5967    -1.4132	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	10	1
2	1	11	1
3	2	9	1
4	2	19	1
5	3	10	2
6	4	5	2
7	4	6	1
8	4	10	1
9	5	7	1
10	5	12	1
11	6	8	2
12	6	13	1
13	7	9	2
14	7	14	1
15	8	9	1
16	8	15	1
17	11	16	1
18	11	17	1
19	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1