@<TRIPOS>MOLECULE
92449503
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5306     1.1267    -1.2167	O.3	1	noname	-0.3880
2	O2     2.6152     2.4300     0.3731	O.3	1	noname	-0.3847
3	O3     2.7131     0.2544    -2.0835	O.2	1	noname	-0.2872
4	O4    -1.9826    -0.5576     1.5580	O.3	1	noname	-0.2820
5	C1    -0.6829     1.3366    -0.0965	C.3	1	noname	0.0852
6	C2     0.3039     2.5041    -0.3996	C.3	1	noname	0.0111
7	C3     1.7803     2.1085    -0.7304	C.3	1	noname	0.1198
8	C4    -0.0383     0.0431     0.2632	C.2	1	noname	0.0273
9	C5     1.2722    -0.3052    -0.2401	C.2	1	noname	0.0044
10	C6     2.0001     0.6222    -1.1249	C.2	1	noname	0.1107
11	C7    -0.7578    -0.8740     1.0866	C.2	1	noname	0.0245
12	C8     1.8641    -1.5598     0.0791	C.2	1	noname	-0.0255
13	C9    -0.1617    -2.1297     1.4031	C.2	1	noname	-0.0082
14	C10     1.1339    -2.4685     0.9047	C.2	1	noname	-0.0373
15	H1    -1.3541     1.6330     0.7050	H	1	noname	0.0654
16	H2    -0.0969     3.1186    -1.2057	H	1	noname	0.0328
17	H3     0.3670     3.1384     0.4846	H	1	noname	0.0328
18	H4     2.1447     2.7441    -1.5364	H	1	noname	0.0688
19	H5     2.7893    -1.8045    -0.2739	H	1	noname	0.0630
20	H6    -0.6654    -2.7934     1.9915	H	1	noname	0.0650
21	H7    -0.9869     0.8988    -1.9996	H	1	noname	0.2109
22	H8     1.5433    -3.3721     1.1419	H	1	noname	0.0623
23	H9     3.5404     2.1821     0.1658	H	1	noname	0.2110
24	H10    -2.3251    -1.2983     2.1007	H	1	noname	0.2182
@<TRIPOS>BOND
1	5	1	1
2	1	21	1
3	7	2	1
4	2	23	1
5	3	10	2
6	4	11	1
7	4	24	1
8	5	6	1
9	5	8	1
10	5	15	1
11	6	7	1
12	6	16	1
13	6	17	1
14	7	10	1
15	7	18	1
16	8	9	2
17	8	11	1
18	9	10	1
19	9	12	1
20	11	13	2
21	12	14	2
22	12	19	1
23	13	14	1
24	13	20	1
25	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
