@<TRIPOS>MOLECULE
73425525
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6276    -1.5006     0.5034	O.3	1	noname	-0.3929
2	O2    -2.0444     1.5133    -0.0053	O.3	1	noname	-0.3905
3	O3    -1.0289     3.6411    -1.3241	O.3	1	noname	-0.3936
4	C1    -0.0192     0.2163     0.2114	C.3	1	noname	0.0015
5	C2     1.2933    -0.4148    -0.3626	C.3	1	noname	0.0564
6	C3    -0.7915     1.2755    -0.6442	C.3	1	noname	0.0796
7	C4     2.5233     0.5447    -0.5128	C.3	1	noname	-0.0297
8	C5    -0.1086     2.6598    -0.8474	C.3	1	noname	0.0693
9	C6     3.8782    -0.1358    -0.7922	C.3	1	noname	-0.0629
10	H1    -0.7242    -0.6222     0.3431	H	1	noname	0.0320
11	H2     0.1637     0.6144     1.2199	H	1	noname	0.0320
12	H3     1.0624    -0.8513    -1.3339	H	1	noname	0.0600
13	H4    -1.0183     0.8461    -1.6197	H	1	noname	0.0625
14	H5     2.3654     1.2115    -1.3526	H	1	noname	0.0290
15	H6     2.6349     1.1549     0.3820	H	1	noname	0.0290
16	H7     0.3286     3.0173     0.0850	H	1	noname	0.0590
17	H8     0.6768     2.6014    -1.5930	H	1	noname	0.0590
18	H9     4.6555     0.6236    -0.8770	H	1	noname	0.0231
19	H10     3.8169    -0.6987    -1.7236	H	1	noname	0.0231
20	H11     4.1201    -0.8134     0.0266	H	1	noname	0.0231
21	H12     1.7681    -1.1621     1.4123	H	1	noname	0.2104
22	H13    -1.8897     1.8525     0.9010	H	1	noname	0.2105
23	H14    -0.5642     4.4962    -1.4394	H	1	noname	0.2101
@<TRIPOS>BOND
1	5	1	1
2	1	21	1
3	6	2	1
4	2	22	1
5	3	8	1
6	3	23	1
7	4	5	1
8	4	6	1
9	4	10	1
10	4	11	1
11	5	7	1
12	5	12	1
13	6	8	1
14	6	13	1
15	7	9	1
16	7	14	1
17	7	15	1
18	8	16	1
19	8	17	1
20	9	18	1
21	9	19	1
22	9	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1