@<TRIPOS>MOLECULE
67061189
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4588     1.5905    -4.5936	O.3	1	noname	-0.2177
2	O2    -2.4752     0.7358    -4.2551	O.2	1	noname	-0.2544
3	O3    -3.4201    -1.7018    -3.9460	O.3	1	noname	-0.2177
4	O4    -3.9806    -1.7046    -1.6553	O.2	1	noname	-0.2544
5	C1    -0.0698     0.4785    -1.7942	C.3	1	noname	-0.0281
6	C2    -1.4362    -0.8910    -0.7428	C.3	1	noname	-0.0281
7	C3     0.0377    -0.5375    -0.6558	C.3	1	noname	-0.0460
8	C4    -0.6829    -0.3217    -2.9988	C.3	1	noname	0.0601
9	C5    -1.5988    -1.3640    -2.2328	C.3	1	noname	0.0601
10	C6    -1.0574     1.4602    -1.1217	C.3	1	noname	-0.0493
11	C7    -2.0236     0.5045    -0.4066	C.3	1	noname	-0.0493
12	C8    -1.2479     0.6508    -4.0075	C.2	1	noname	0.1370
13	C9    -3.1115    -1.6048    -2.5481	C.2	1	noname	0.1370
14	H1     0.8797     0.9658    -2.0073	H	1	noname	0.0311
15	H2    -1.7270    -1.6430    -0.0063	H	1	noname	0.0311
16	H3     0.2313    -0.0146     0.2808	H	1	noname	0.0273
17	H4     0.7037    -1.3751    -0.8629	H	1	noname	0.0273
18	H5     0.1507    -0.8733    -3.4583	H	1	noname	0.0420
19	H6    -1.1645    -2.3715    -2.3190	H	1	noname	0.0420
20	H7    -1.5969     2.0154    -1.8890	H	1	noname	0.0270
21	H8    -0.5319     2.0745    -0.3905	H	1	noname	0.0270
22	H9    -3.0169     0.5961    -0.8460	H	1	noname	0.0270
23	H10    -1.9330     0.6110     0.6744	H	1	noname	0.0270
24	H11    -0.7162     1.9775    -5.4564	H	1	noname	0.2213
25	H12    -4.1712    -2.2559    -4.2447	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	12	1
2	1	24	1
3	2	12	2
4	3	13	1
5	3	25	1
6	4	13	2
7	5	7	1
8	5	8	1
9	5	10	1
10	5	14	1
11	6	7	1
12	6	9	1
13	6	11	1
14	6	15	1
15	7	16	1
16	7	17	1
17	8	9	1
18	8	12	1
19	8	18	1
20	9	13	1
21	9	19	1
22	10	11	1
23	10	20	1
24	10	21	1
25	11	22	1
26	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1