@<TRIPOS>MOLECULE
90437598
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4278    -1.9084     0.3341	O.3	1	noname	-0.3859
2	O2     0.9705    -3.2378    -0.3040	O.3	1	noname	-0.3932
3	O3    -0.0667     3.6371     0.4816	O.3	1	noname	-0.2857
4	C1    -0.2170    -1.1904     0.1472	C.3	1	noname	0.1022
5	C2    -0.5144     0.1327    -0.3939	C.2	1	noname	-0.0324
6	C3     0.6813    -1.9510    -0.8302	C.3	1	noname	0.0734
7	C4    -0.1436     1.2715     0.3116	C.2	1	noname	-0.0196
8	C5    -1.1683     0.2534    -1.6145	C.2	1	noname	-0.0602
9	C6    -0.4268     2.5311    -0.2036	C.2	1	noname	0.0015
10	C7    -1.4514     1.5130    -2.1297	C.2	1	noname	-0.0490
11	C8    -1.0807     2.6518    -1.4242	C.2	1	noname	-0.0318
12	H1     0.2943    -1.0851     1.1040	H	1	noname	0.0676
13	H2     0.1699    -2.0563    -1.7870	H	1	noname	0.0594
14	H3     1.6107    -1.3998    -0.9737	H	1	noname	0.0594
15	H4     0.3362     1.1829     1.2073	H	1	noname	0.0653
16	H5    -1.4404    -0.5823    -2.1322	H	1	noname	0.0626
17	H6    -1.9313     1.6016    -3.0254	H	1	noname	0.0623
18	H7    -1.2884     3.5761    -1.8022	H	1	noname	0.0650
19	H8    -2.0032    -1.4212     0.9601	H	1	noname	0.2110
20	H9     1.5459    -3.7250    -0.9300	H	1	noname	0.2101
21	H10     0.3801     3.3750     1.3136	H	1	noname	0.2181
@<TRIPOS>BOND
1	4	1	1
2	1	19	1
3	2	6	1
4	2	20	1
5	3	9	1
6	3	21	1
7	4	5	1
8	4	6	1
9	4	12	1
10	5	7	2
11	5	8	1
12	6	13	1
13	6	14	1
14	7	9	1
15	7	15	1
16	8	10	2
17	8	16	1
18	9	11	2
19	10	11	1
20	10	17	1
21	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1