@<TRIPOS>MOLECULE
57823854
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5791     1.1232     0.7799	O.3	1	noname	-0.3308
2	O2    -0.1438     0.6367    -1.4781	O.3	1	noname	-0.3056
3	O3     0.9457     2.6625    -0.9476	O.3	1	noname	-0.3058
4	O4     1.8135     0.5659    -2.8357	O.3	1	noname	-0.3610
5	O5     3.4320    -0.1737     2.5562	O.2	1	noname	-0.2888
6	O6    -1.1426     1.8953     0.8493	O.2	1	noname	-0.2786
7	C1     1.2661     0.4900    -1.4967	C.3	1	noname	0.2270
8	C2     1.8026     1.5856    -0.5684	C.3	1	noname	0.2245
9	C3     1.6910    -0.7549    -0.7372	C.3	1	noname	0.0431
10	C4     1.8570    -0.3094     0.7681	C.3	1	noname	0.1321
11	C5    -0.3083     2.0551    -1.3582	C.3	1	noname	0.2309
12	C6     3.3116     1.8971    -0.7557	C.3	1	noname	-0.0047
13	C7     0.7568    -1.0061     1.6133	C.3	1	noname	-0.0283
14	C8     3.2226    -0.5989     1.3882	C.2	1	noname	0.1535
15	C9    -0.6983     2.5622    -2.7661	C.3	1	noname	-0.0025
16	C10    -1.3558     2.3043    -0.3103	C.2	1	noname	0.1732
17	C11     4.3825    -1.3187     0.7976	C.3	1	noname	-0.0027
18	C12    -2.6516     2.9845    -0.4685	C.3	1	noname	0.0000
19	H1     1.0533    -1.6413    -0.8622	H	1	noname	0.0358
20	H2     2.6237    -0.9726    -1.2214	H	1	noname	0.0358
21	H3     3.5292     2.2172    -1.7702	H	1	noname	0.0287
22	H4     3.9149     1.0117    -0.6095	H	1	noname	0.0287
23	H5     3.6384     2.6296    -0.0186	H	1	noname	0.0287
24	H6     0.9646    -2.0822     1.6429	H	1	noname	0.0264
25	H7    -0.2296    -0.8595     1.1529	H	1	noname	0.0264
26	H8     0.7141    -0.6216     2.6408	H	1	noname	0.0264
27	H9     1.4712    -0.2236    -3.3014	H	1	noname	0.2138
28	H10    -0.8322     3.6415    -2.7135	H	1	noname	0.0290
29	H11    -1.6364     2.0861    -3.0632	H	1	noname	0.0290
30	H12     0.0546     2.3337    -3.5263	H	1	noname	0.0290
31	H13     4.1981    -1.7347    -0.1931	H	1	noname	0.0311
32	H14     4.6985    -2.1141     1.4725	H	1	noname	0.0311
33	H15     5.2298    -0.6333     0.7806	H	1	noname	0.0311
34	H16    -3.2519     2.4550    -1.2084	H	1	noname	0.0312
35	H17    -3.1766     2.9930     0.4867	H	1	noname	0.0312
36	H18    -2.4858     4.0092    -0.8011	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