@<TRIPOS>MOLECULE
121225705
35 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.8207     4.0774    -0.3455	O.3	1	noname	-0.3886
2	C1    -0.8986     1.2396     0.1668	C.2	1	noname	-0.0223
3	C2     0.3043     0.7763    -0.4469	C.2	1	noname	-0.0272
4	C3     1.2279     3.0537    -0.0848	C.2	1	noname	-0.0378
5	C4     1.3841     1.6962    -0.5109	C.2	1	noname	-0.0298
6	C5    -1.9514     0.2928     0.3482	C.2	1	noname	-0.0200
7	C6    -1.0590     2.5800     0.6453	C.2	1	noname	-0.0355
8	C7     2.3879     4.0031    -0.1392	C.3	1	noname	0.0275
9	C8     0.0121     3.4917     0.4907	C.2	1	noname	-0.0430
10	C9     3.7463     3.2421     0.0599	C.3	1	noname	0.0766
11	C10    -1.7739    -1.0659    -0.0896	C.2	1	noname	-0.0333
12	C11    -3.1744     0.7068     0.9619	C.2	1	noname	-0.0334
13	C12     2.6673     1.2920    -0.9319	C.2	1	noname	-0.0431
14	C13     0.4427    -0.5765    -0.8835	C.2	1	noname	-0.0388
15	C14    -2.2807     2.9803     1.2603	C.2	1	noname	-0.0422
16	C15     3.7777     2.0108    -0.7027	C.2	1	noname	-0.0528
17	C16    -0.5856    -1.5113    -0.6922	C.2	1	noname	-0.0411
18	C17    -3.3378     2.0443     1.4080	C.2	1	noname	-0.0418
19	C18    -2.8260    -1.9963     0.0565	C.2	1	noname	-0.0456
20	C19    -4.2112    -0.2553     1.0952	C.2	1	noname	-0.0456
21	C20    -4.0419    -1.5929     0.6444	C.2	1	noname	-0.0529
22	H1     2.2766     4.7576     0.6396	H	1	noname	0.0346
23	H2     2.4277     4.4103    -1.1495	H	1	noname	0.0346
24	H3    -0.0919     4.4603     0.7930	H	1	noname	0.0632
25	H4     3.8097     2.9689     1.1132	H	1	noname	0.0649
26	H5     2.7539     0.4356    -1.4208	H	1	noname	0.0626
27	H6     1.3054    -0.8683    -1.3429	H	1	noname	0.0629
28	H7    -2.3954     3.9374     1.5937	H	1	noname	0.0629
29	H8     4.6417     1.6906    -1.0648	H	1	noname	0.0603
30	H9    -0.4741    -2.4831    -0.9814	H	1	noname	0.0629
31	H10    -4.2173     2.3338     1.8359	H	1	noname	0.0629
32	H11    -2.7064    -2.9577    -0.2626	H	1	noname	0.0629
33	H12    -5.0954     0.0193     1.5232	H	1	noname	0.0629
34	H13    -4.8036    -2.2635     0.7468	H	1	noname	0.0623
35	H14     4.8215     4.8943     0.1959	H	1	noname	0.2108
@<TRIPOS>BOND
1	10	1	1
2	1	35	1
3	2	3	2
4	2	6	1
5	2	7	1
6	3	5	1
7	3	14	1
8	4	5	2
9	4	8	1
10	4	9	1
11	5	13	1
12	6	11	1
13	6	12	2
14	7	9	2
15	7	15	1
16	8	10	1
17	8	22	1
18	8	23	1
19	9	24	1
20	10	16	1
21	10	25	1
22	11	17	1
23	11	19	2
24	12	18	1
25	12	20	1
26	13	16	2
27	13	26	1
28	14	17	2
29	14	27	1
30	15	18	2
31	15	28	1
32	16	29	1
33	17	30	1
34	18	31	1
35	19	21	1
36	19	32	1
37	20	21	2
38	20	33	1
39	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1