@<TRIPOS>MOLECULE
91826973
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.8982    -2.6619     0.3419	O.2	1	noname	-0.3065
2	C1    -2.2956    -0.4888     0.5714	C.3	1	noname	-0.0336
3	C2    -1.2511    -1.0492    -0.3961	C.3	1	noname	-0.0249
4	C3    -3.0022    -1.6437     1.2840	C.3	1	noname	0.0059
5	C4    -0.5768     0.0528    -1.0761	C.2	1	noname	-0.0548
6	C5    -1.6061     0.4032     1.6056	C.3	1	noname	-0.0618
7	C6     0.5713     0.6106    -0.5260	C.2	1	noname	-0.0571
8	C7    -1.0831     0.5442    -2.2737	C.2	1	noname	-0.0571
9	C8    -3.6602    -2.4949     0.2971	C.2	1	noname	0.1232
10	C9     1.2133     1.6597    -1.1734	C.2	1	noname	-0.0605
11	C10    -0.4411     1.5934    -2.9212	C.2	1	noname	-0.0605
12	C11     0.7071     2.1512    -2.3710	C.2	1	noname	-0.0616
13	H1    -3.0275     0.0977     0.0160	H	1	noname	0.0307
14	H2    -1.7424    -1.6847    -1.1329	H	1	noname	0.0319
15	H3    -0.5192    -1.6357     0.1593	H	1	noname	0.0319
16	H4    -3.7463    -1.2444     1.9732	H	1	noname	0.0346
17	H5    -2.2703    -2.2301     1.8394	H	1	noname	0.0346
18	H6    -2.3502     0.8025     2.2948	H	1	noname	0.0233
19	H7    -1.1027     1.2260     1.0979	H	1	noname	0.0233
20	H8    -0.8742    -0.1832     2.1610	H	1	noname	0.0233
21	H9     0.9428     0.2499     0.3529	H	1	noname	0.0625
22	H10    -1.9256     0.1350    -2.6775	H	1	noname	0.0625
23	H11    -3.1097    -2.9533    -0.4290	H	1	noname	0.1041
24	H12     2.0558     2.0690    -0.7697	H	1	noname	0.0622
25	H13    -0.8126     1.9540    -3.8000	H	1	noname	0.0622
26	H14     1.1781     2.9211    -2.8462	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	9	2
2	2	3	1
3	2	4	1
4	2	6	1
5	2	13	1
6	3	5	1
7	3	14	1
8	3	15	1
9	4	9	1
10	4	16	1
11	4	17	1
12	5	7	2
13	5	8	1
14	6	18	1
15	6	19	1
16	6	20	1
17	7	10	1
18	7	21	1
19	8	11	2
20	8	22	1
21	9	23	1
22	10	12	2
23	10	24	1
24	11	12	1
25	11	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1