@<TRIPOS>MOLECULE
71587849
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3393     0.2951     0.1267	O.3	1	noname	-0.3408
2	O2    -0.2386     1.7426    -1.5203	O.3	1	noname	-0.3460
3	O3     2.7600     0.0851     1.5393	O.3	1	noname	-0.3934
4	C1     1.5761     0.5195    -0.5138	C.3	1	noname	0.1075
5	C2     1.1823     1.6467    -1.4655	C.3	1	noname	0.0788
6	C3    -0.5753     0.4990    -0.9394	C.3	1	noname	0.1772
7	C4     2.5904     1.0431     0.5049	C.3	1	noname	0.0719
8	C5    -1.9064     0.5602    -0.4203	C.2	1	noname	-0.0507
9	C6    -2.7070     0.8860    -2.6493	C.3	1	noname	-0.0351
10	C7    -2.9336     0.7467    -1.2443	C.2	1	noname	-0.0657
11	C8    -3.2237     2.2481    -3.1167	C.3	1	noname	-0.0527
12	C9    -2.9812     2.3972    -4.6200	C.3	1	noname	-0.0651
13	H1     1.8821    -0.3641    -1.0740	H	1	noname	0.0653
14	H2     1.5707     1.4337    -2.4615	H	1	noname	0.0596
15	H3     1.5669     2.6069    -1.1216	H	1	noname	0.0596
16	H4    -0.4283    -0.2855    -1.6817	H	1	noname	0.0971
17	H5     2.2273     1.9781     0.9315	H	1	noname	0.0591
18	H6     3.5460     1.2164     0.0100	H	1	noname	0.0591
19	H7    -2.0633     0.4638     0.5524	H	1	noname	0.0625
20	H8    -3.2342     0.0949    -3.1826	H	1	noname	0.0309
21	H9    -1.6389     0.8128    -2.8541	H	1	noname	0.0309
22	H10    -3.8551     0.7891    -0.8849	H	1	noname	0.0574
23	H11    -4.2918     2.3213    -2.9119	H	1	noname	0.0267
24	H12    -2.6964     3.0392    -2.5835	H	1	noname	0.0267
25	H13    -3.3493     3.3676    -4.9530	H	1	noname	0.0230
26	H14    -3.5084     1.6061    -5.1533	H	1	noname	0.0230
27	H15    -1.9131     2.3240    -4.8248	H	1	noname	0.0230
28	H16     3.4097     0.4205     2.1918	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	4	1
2	1	6	1
3	2	5	1
4	2	6	1
5	3	7	1
6	3	28	1
7	4	5	1
8	4	7	1
9	4	13	1
10	5	14	1
11	5	15	1
12	6	8	1
13	6	16	1
14	7	17	1
15	7	18	1
16	8	10	2
17	8	19	1
18	9	10	1
19	9	11	1
20	9	20	1
21	9	21	1
22	10	22	1
23	11	12	1
24	11	23	1
25	11	24	1
26	12	25	1
27	12	26	1
28	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1