@<TRIPOS>MOLECULE
91136145
22 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.7823    -1.1840     0.0528	O.3	1	noname	-0.2702
2	O2     0.0504     2.4700     0.2442	O.3	1	noname	-0.1453
3	O3     2.0810     3.4083    -0.3412	O.2	1	noname	-0.2517
4	C1     3.2655     0.7130    -0.4586	C.3	1	noname	0.0049
5	C2     1.9123     1.0901    -0.1377	C.2	1	noname	0.1095
6	C3     1.1034    -0.0178     0.1462	C.2	1	noname	0.0213
7	C4     3.1239    -0.8108    -0.3169	C.3	1	noname	0.0578
8	C5    -0.2682     0.0756     0.4914	C.2	1	noname	0.0125
9	C6    -0.7854     1.3960     0.5327	C.2	1	noname	0.0297
10	C7     1.3901     2.3962    -0.0941	C.2	1	noname	0.1297
11	C8    -0.8653    -0.9285     1.2446	C.2	1	noname	-0.0241
12	C9    -2.0711     1.6243     1.0091	C.2	1	noname	-0.0110
13	C10    -1.9690    -0.6389     2.0384	C.2	1	noname	-0.0561
14	C11    -2.6720     0.5933     1.7922	C.2	1	noname	-0.0432
15	H1     3.4756     0.9633    -1.4984	H	1	noname	0.0343
16	H2     3.9635     1.2040     0.2196	H	1	noname	0.0343
17	H3     3.3873    -1.2894    -1.2602	H	1	noname	0.0575
18	H4     3.7866    -1.1839     0.4639	H	1	noname	0.0575
19	H5    -0.4935    -1.8779     1.2149	H	1	noname	0.0630
20	H6    -2.5652     2.4935     0.8072	H	1	noname	0.0650
21	H7    -2.2715    -1.2793     2.7724	H	1	noname	0.0622
22	H8    -3.6054     0.7304     2.1800	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	2	9	1
4	2	10	1
5	3	10	2
6	4	5	1
7	4	7	1
8	4	15	1
9	4	16	1
10	5	6	2
11	5	10	1
12	6	8	1
13	7	17	1
14	7	18	1
15	8	9	1
16	8	11	2
17	9	12	2
18	11	13	1
19	11	19	1
20	12	14	1
21	12	20	1
22	13	14	2
23	13	21	1
24	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1