@<TRIPOS>MOLECULE
92139829
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.1438    -0.3271    -0.8946	O.3	1	noname	-0.2063
2	O2     2.5530    -1.6339     0.8420	O.2	1	noname	-0.2529
3	C1     0.1697    -0.6426     1.3452	C.3	1	noname	-0.0105
4	C2     0.4321     1.3446     2.0695	C.3	1	noname	-0.0219
5	C3     0.9802    -0.0201     0.1778	C.3	1	noname	0.0519
6	C4     0.8197    -0.0265     2.5827	C.3	1	noname	-0.0398
7	C5     1.2055     1.4200     0.7229	C.3	1	noname	-0.0341
8	C6    -1.1627    -0.0905     1.4598	C.2	1	noname	-0.0845
9	C7    -0.9956     1.1632     1.9057	C.2	1	noname	-0.0847
10	C8     2.2656    -0.7023     0.0596	C.2	1	noname	0.1418
11	C9     4.5388    -0.4709    -0.6718	C.3	1	noname	0.0536
12	C10     5.2128     0.9001    -0.7568	C.3	1	noname	-0.0409
13	H1     0.1873    -1.7206     1.3476	H	1	noname	0.0354
14	H2     0.6834     2.1974     2.7001	H	1	noname	0.0346
15	H3     0.3991    -0.0637    -0.7434	H	1	noname	0.0415
16	H4     0.2242    -0.2665     3.4636	H	1	noname	0.0279
17	H5     1.8850    -0.2133     2.7182	H	1	noname	0.0279
18	H6     0.7182     2.1384     0.0638	H	1	noname	0.0281
19	H7     2.2650     1.5999     0.9051	H	1	noname	0.0281
20	H8    -2.0183    -0.5432     1.2525	H	1	noname	0.0575
21	H9    -1.7047     1.8300     2.0865	H	1	noname	0.0575
22	H10     4.7067    -0.8976     0.3170	H	1	noname	0.0570
23	H11     4.9615    -1.1312    -1.4290	H	1	noname	0.0570
24	H12     6.2836     0.7897    -0.5858	H	1	noname	0.0254
25	H13     4.7900     1.5604     0.0004	H	1	noname	0.0254
26	H14     5.0448     1.3268    -1.7457	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	10	1
2	1	11	1
3	2	10	2
4	3	5	1
5	3	6	1
6	3	8	1
7	3	13	1
8	4	6	1
9	4	7	1
10	4	9	1
11	4	14	1
12	5	7	1
13	5	10	1
14	5	15	1
15	6	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	8	9	2
20	8	20	1
21	9	21	1
22	11	12	1
23	11	22	1
24	11	23	1
25	12	24	1
26	12	25	1
27	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1