@<TRIPOS>MOLECULE
87320369
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -5.9119     3.9224    -0.2190	O.3	1	noname	-0.2189
2	O2    -4.0848     5.1978     0.1086	O.2	1	noname	-0.2559
3	C1     2.4417     1.7031     0.6359	C.3	1	noname	-0.0533
4	C2     0.9893     1.2720     0.4220	C.3	1	noname	-0.0533
5	C3     3.3438     0.4674     0.6487	C.3	1	noname	-0.0533
6	C4     0.0872     2.5077     0.4093	C.3	1	noname	-0.0533
7	C5     4.7961     0.8984     0.8626	C.3	1	noname	-0.0533
8	C6    -1.3652     2.0767     0.1954	C.3	1	noname	-0.0528
9	C7     5.6983    -0.3373     0.8754	C.3	1	noname	-0.0535
10	C8    -2.2673     3.3123     0.1826	C.3	1	noname	-0.0439
11	C9     7.1506     0.0938     1.0893	C.3	1	noname	-0.0561
12	C10    -3.7197     2.8813    -0.0313	C.3	1	noname	0.0335
13	C11     8.0527    -1.1419     1.1020	C.3	1	noname	-0.0654
14	C12    -4.5805     4.0604    -0.0435	C.2	1	noname	0.1348
15	H1     2.5289     2.2264     1.5881	H	1	noname	0.0266
16	H2     2.7465     2.3671    -0.1729	H	1	noname	0.0266
17	H3     0.6845     0.6080     1.2309	H	1	noname	0.0266
18	H4     0.9021     0.7487    -0.5301	H	1	noname	0.0266
19	H5     3.0390    -0.1967     1.4576	H	1	noname	0.0266
20	H6     3.2566    -0.0560    -0.3034	H	1	noname	0.0266
21	H7     0.1744     3.0311     1.3614	H	1	noname	0.0266
22	H8     0.3920     3.1717    -0.3996	H	1	noname	0.0266
23	H9     4.8833     1.4218     1.8148	H	1	noname	0.0266
24	H10     5.1009     1.5625     0.0537	H	1	noname	0.0266
25	H11    -1.6700     1.4126     1.0042	H	1	noname	0.0267
26	H12    -1.4524     1.5533    -0.7568	H	1	noname	0.0267
27	H13     5.3935    -1.0013     1.6842	H	1	noname	0.0266
28	H14     5.6111    -0.8606    -0.0768	H	1	noname	0.0266
29	H15    -2.1801     3.8357     1.1347	H	1	noname	0.0272
30	H16    -1.9625     3.9764    -0.6263	H	1	noname	0.0272
31	H17     7.2378     0.6172     2.0414	H	1	noname	0.0264
32	H18     7.4554     0.7578     0.2804	H	1	noname	0.0264
33	H19    -4.0245     2.2173     0.7776	H	1	noname	0.0372
34	H20    -3.8069     2.3579    -0.9834	H	1	noname	0.0372
35	H21     9.0874    -0.8348     1.2544	H	1	noname	0.0230
36	H22     7.7479    -1.8059     1.9109	H	1	noname	0.0230
37	H23     7.9655    -1.6653     0.1499	H	1	noname	0.0230
38	H24    -6.5289     4.5676     0.1852	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	14	1
2	1	38	1
3	2	14	2
4	3	4	1
5	3	5	1
6	3	15	1
7	3	16	1
8	4	6	1
9	4	17	1
10	4	18	1
11	5	7	1
12	5	19	1
13	5	20	1
14	6	8	1
15	6	21	1
16	6	22	1
17	7	9	1
18	7	23	1
19	7	24	1
20	8	10	1
21	8	25	1
22	8	26	1
23	9	11	1
24	9	27	1
25	9	28	1
26	10	12	1
27	10	29	1
28	10	30	1
29	11	13	1
30	11	31	1
31	11	32	1
32	12	14	1
33	12	33	1
34	12	34	1
35	13	35	1
36	13	36	1
37	13	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1