@<TRIPOS>MOLECULE
59722415
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8847     1.6051     0.2927	O.3	1	noname	-0.0903
2	O2     2.5453    -0.4397     1.3534	O.2	1	noname	-0.2453
3	O3     2.3697     2.2285    -1.9646	O.2	1	noname	-0.2453
4	C1     0.5517    -0.2676    -0.1325	C.3	1	noname	0.0580
5	C2     0.5923     0.5746    -1.4031	C.3	1	noname	0.0577
6	C3    -0.3985    -2.1795    -1.4302	C.3	1	noname	-0.0434
7	C4     0.7297    -1.7437    -0.4932	C.3	1	noname	-0.0376
8	C5     0.9792    -0.3106    -2.5895	C.3	1	noname	-0.0400
9	C6    -0.1118    -1.4457    -2.7987	C.3	1	noname	-0.0499
10	C7     1.7861     0.2255     0.6161	C.2	1	noname	0.1754
11	C8     1.7213     1.5728    -1.1207	C.2	1	noname	0.1754
12	C9    -0.3314    -3.6936    -1.6396	C.3	1	noname	-0.0625
13	H1    -0.3261    -0.0129     0.4614	H	1	noname	0.0417
14	H2    -0.3592     1.0539    -1.6331	H	1	noname	0.0417
15	H3    -1.3492    -1.8271    -1.0300	H	1	noname	0.0300
16	H4     0.7007    -2.3457     0.4150	H	1	noname	0.0278
17	H5     1.6895    -1.8830    -0.9908	H	1	noname	0.0278
18	H6     1.0469     0.2988    -3.4907	H	1	noname	0.0275
19	H7     1.9356    -0.7770    -2.3531	H	1	noname	0.0275
20	H8    -1.0336    -0.9993    -3.1717	H	1	noname	0.0269
21	H9     0.2776    -2.1422    -3.5412	H	1	noname	0.0269
22	H10    -1.1353    -4.0041    -2.3071	H	1	noname	0.0233
23	H11    -0.4409    -4.1984    -0.6797	H	1	noname	0.0233
24	H12     0.6297    -3.9571    -2.0811	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	10	1
2	1	11	1
3	2	10	2
4	3	11	2
5	4	5	1
6	4	7	1
7	4	10	1
8	4	13	1
9	5	8	1
10	5	11	1
11	5	14	1
12	6	7	1
13	6	9	1
14	6	12	1
15	6	15	1
16	7	16	1
17	7	17	1
18	8	9	1
19	8	18	1
20	8	19	1
21	9	20	1
22	9	21	1
23	12	22	1
24	12	23	1
25	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1