@<TRIPOS>MOLECULE
76972287
35 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.1387     4.2663    -0.2190	O.3	1	noname	-0.2189
2	O2    -4.7321     2.1185     0.1086	O.2	1	noname	-0.2559
3	C1     0.6605    -1.3567     0.4220	C.3	1	noname	-0.0533
4	C2     0.7382    -2.8697     0.6359	C.3	1	noname	-0.0533
5	C3    -0.8052    -0.9181     0.4093	C.3	1	noname	-0.0533
6	C4     2.2039    -3.3083     0.6487	C.3	1	noname	-0.0533
7	C5    -0.8830     0.5949     0.1954	C.3	1	noname	-0.0528
8	C6     2.2817    -4.8213     0.8626	C.3	1	noname	-0.0535
9	C7    -2.3487     1.0335     0.1826	C.3	1	noname	-0.0439
10	C8     3.7474    -5.2600     0.8754	C.3	1	noname	-0.0561
11	C9    -2.4264     2.5465    -0.0313	C.3	1	noname	0.0335
12	C10     3.8251    -6.7729     1.0893	C.3	1	noname	-0.0654
13	C11    -3.8251     2.9651    -0.0435	C.2	1	noname	0.1348
14	H1     1.1249    -1.1001    -0.5301	H	1	noname	0.0266
15	H2     1.1850    -0.8480     1.2309	H	1	noname	0.0266
16	H3     0.2138    -3.3784    -0.1729	H	1	noname	0.0266
17	H4     0.2738    -3.1264     1.5881	H	1	noname	0.0266
18	H5    -1.3297    -1.4268    -0.3996	H	1	noname	0.0266
19	H6    -1.2696    -1.1748     1.3614	H	1	noname	0.0266
20	H7     2.6683    -3.0517    -0.3034	H	1	noname	0.0266
21	H8     2.7284    -2.7996     1.4576	H	1	noname	0.0266
22	H9    -0.4186     0.8515    -0.7568	H	1	noname	0.0267
23	H10    -0.3585     1.1036     1.0042	H	1	noname	0.0267
24	H11     1.7572    -5.3300     0.0537	H	1	noname	0.0266
25	H12     1.8173    -5.0780     1.8148	H	1	noname	0.0266
26	H13    -2.8731     0.5248    -0.6263	H	1	noname	0.0272
27	H14    -2.8130     0.7768     1.1347	H	1	noname	0.0272
28	H15     4.2118    -5.0033    -0.0768	H	1	noname	0.0264
29	H16     4.2718    -4.7512     1.6842	H	1	noname	0.0264
30	H17    -1.9620     2.8032    -0.9834	H	1	noname	0.0372
31	H18    -1.9019     3.0552     0.7776	H	1	noname	0.0372
32	H19     4.8693    -7.0854     1.0984	H	1	noname	0.0230
33	H20     3.3007    -7.2817     0.2804	H	1	noname	0.0230
34	H21     3.3607    -7.0296     2.0414	H	1	noname	0.0230
35	H22    -4.9527     4.6330     0.1852	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	13	1
2	1	35	1
3	2	13	2
4	3	4	1
5	3	5	1
6	3	14	1
7	3	15	1
8	4	6	1
9	4	16	1
10	4	17	1
11	5	7	1
12	5	18	1
13	5	19	1
14	6	8	1
15	6	20	1
16	6	21	1
17	7	9	1
18	7	22	1
19	7	23	1
20	8	10	1
21	8	24	1
22	8	25	1
23	9	11	1
24	9	26	1
25	9	27	1
26	10	12	1
27	10	28	1
28	10	29	1
29	11	13	1
30	11	30	1
31	11	31	1
32	12	32	1
33	12	33	1
34	12	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1