@<TRIPOS>MOLECULE
57823861
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.7274     1.6919     2.6845	O.3	1	noname	-0.3308
2	O2    -1.8919    -0.6178     1.1826	O.3	1	noname	-0.3056
3	O3    -2.9911     1.2959     0.3379	O.3	1	noname	-0.3058
4	O4    -0.1027     0.7052     0.3231	O.3	1	noname	-0.3610
5	O5    -2.0513     3.2888     4.9811	O.2	1	noname	-0.2888
6	O6    -1.6777    -0.3221    -1.6347	O.2	1	noname	-0.2786
7	C1    -1.1071     0.5568     1.3517	C.3	1	noname	0.2270
8	C2    -2.1138     1.7104     1.3783	C.3	1	noname	0.2245
9	C3    -0.5408     0.6499     2.7632	C.3	1	noname	0.0431
10	C4    -1.6508     1.3715     3.6196	C.3	1	noname	0.1321
11	C5    -2.9621    -0.1555     0.3477	C.3	1	noname	0.2309
12	C6    -1.4869     3.1066     1.1246	C.3	1	noname	-0.0047
13	C7    -2.2228     0.3572     4.6532	C.3	1	noname	-0.0283
14	C8    -1.1846     2.6260     4.3602	C.2	1	noname	0.1535
15	C9    -4.2818    -0.6556     0.9746	C.3	1	noname	-0.0025
16	C10    -2.7187    -0.6708    -1.0402	C.2	1	noname	0.1732
17	C11     0.1916     3.2017     4.4275	C.3	1	noname	-0.0027
18	C12    -3.5871    -1.5552    -1.8352	C.3	1	noname	0.0000
19	H1    -0.2038    -0.2960     3.2095	H	1	noname	0.0358
20	H2     0.3232     1.2620     2.6092	H	1	noname	0.0358
21	H3    -0.9897     3.1492     0.1602	H	1	noname	0.0287
22	H4    -2.2452     3.8824     1.2248	H	1	noname	0.0287
23	H5    -0.7134     3.3224     1.8477	H	1	noname	0.0287
24	H6    -1.4400     0.1282     5.3843	H	1	noname	0.0264
25	H7    -3.1011     0.7538     5.1782	H	1	noname	0.0264
26	H8    -2.5117    -0.5707     4.1486	H	1	noname	0.0264
27	H9     0.5275    -0.0298     0.4576	H	1	noname	0.2138
28	H10    -5.1004    -0.3283     0.3330	H	1	noname	0.0290
29	H11    -4.4469    -0.2650     1.9796	H	1	noname	0.0290
30	H12    -4.2610    -1.7472     1.0167	H	1	noname	0.0290
31	H13     0.9545     2.6002     3.9647	H	1	noname	0.0311
32	H14     0.4572     3.3877     5.4681	H	1	noname	0.0311
33	H15     0.1596     4.1962     3.9824	H	1	noname	0.0311
34	H16    -4.5608    -1.0838    -1.9688	H	1	noname	0.0312
35	H17    -3.7116    -2.5051    -1.3154	H	1	noname	0.0312
36	H18    -3.1318    -1.7312    -2.8097	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	8	1
2	1	10	1
3	2	7	1
4	2	11	1
5	3	8	1
6	3	11	1
7	7	4	1
8	4	27	1
9	5	14	2
10	6	16	2
11	7	8	1
12	7	9	1
13	8	12	1
14	9	10	1
15	9	19	1
16	9	20	1
17	10	13	1
18	10	14	1
19	11	15	1
20	11	16	1
21	12	21	1
22	12	22	1
23	12	23	1
24	13	24	1
25	13	25	1
26	13	26	1
27	14	17	1
28	15	28	1
29	15	29	1
30	15	30	1
31	16	18	1
32	17	31	1
33	17	32	1
34	17	33	1
35	18	34	1
36	18	35	1
37	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1