@<TRIPOS>MOLECULE
86168055
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0399     1.9938    -0.6349	O.3	1	noname	-0.2063
2	O2    -2.1774     1.1372    -0.2285	O.2	1	noname	-0.2605
3	C1     4.0657    -1.4856     1.4435	C.3	1	noname	-0.0506
4	C2     4.8558    -1.0675     2.6851	C.3	1	noname	-0.0471
5	C3     2.9262    -0.4926     1.2058	C.3	1	noname	-0.0492
6	C4     2.1360    -0.9106    -0.0359	C.3	1	noname	-0.0292
7	C5     1.0711     0.0175    -0.2580	C.2	1	noname	-0.0025
8	C6     5.9953    -2.0605     2.9228	C.3	1	noname	-0.0628
9	C7     5.4354     0.3326     2.4733	C.3	1	noname	-0.0628
10	C8     1.1567     1.2003    -1.0504	C.3	1	noname	0.0783
11	C9    -0.1532    -0.0841     0.2397	C.2	1	noname	0.0628
12	C10    -0.9322     1.0298    -0.2102	C.2	1	noname	0.0970
13	H1     3.6528    -2.4830     1.5943	H	1	noname	0.0269
14	H2     4.7273    -1.4934     0.5773	H	1	noname	0.0269
15	H3     4.1942    -1.0597     3.5513	H	1	noname	0.0297
16	H4     2.2645    -0.4847     2.0720	H	1	noname	0.0270
17	H5     3.3391     0.5049     1.0549	H	1	noname	0.0270
18	H6     1.7232    -1.9081     0.1150	H	1	noname	0.0313
19	H7     2.7977    -0.9185    -0.9020	H	1	noname	0.0313
20	H8     6.5582    -1.7627     3.8073	H	1	noname	0.0233
21	H9     5.5824    -3.0580     3.0736	H	1	noname	0.0233
22	H10     6.6570    -2.0684     2.0566	H	1	noname	0.0233
23	H11     5.9983     0.6304     3.3579	H	1	noname	0.0233
24	H12     4.6236     1.0400     2.3040	H	1	noname	0.0233
25	H13     6.0970     0.3247     1.6072	H	1	noname	0.0233
26	H14     1.0464     0.9409    -2.1033	H	1	noname	0.0621
27	H15     2.1234     1.6971    -0.9684	H	1	noname	0.0621
28	H16    -0.4766    -0.8123     0.8273	H	1	noname	0.0686
@<TRIPOS>BOND
1	1	10	1
2	1	12	1
3	2	12	2
4	3	4	1
5	3	5	1
6	3	13	1
7	3	14	1
8	4	8	1
9	4	9	1
10	4	15	1
11	5	6	1
12	5	16	1
13	5	17	1
14	6	7	1
15	6	18	1
16	6	19	1
17	7	10	1
18	7	11	2
19	8	20	1
20	8	21	1
21	8	22	1
22	9	23	1
23	9	24	1
24	9	25	1
25	10	26	1
26	10	27	1
27	11	12	1
28	11	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1