@<TRIPOS>MOLECULE
57823858
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1351     1.6948     3.7511	O.3	1	noname	-0.3308
2	O2    -1.8395     0.3922     1.2049	O.3	1	noname	-0.3056
3	O3    -1.3492     2.5691     1.9062	O.3	1	noname	-0.3058
4	O4     0.4628     0.6071     1.2702	O.3	1	noname	-0.3610
5	O5     2.7494     0.9593     3.8870	O.2	1	noname	-0.2888
6	O6    -1.1267     1.2447    -1.2795	O.2	1	noname	-0.2786
7	C1    -0.7054     0.4210     2.0856	C.3	1	noname	0.2270
8	C2    -1.0750     1.6172     2.9452	C.3	1	noname	0.2245
9	C3    -0.3088    -0.5708     3.2090	C.3	1	noname	0.0431
10	C4     0.4716     0.3522     4.2410	C.3	1	noname	0.1321
11	C5    -2.0535     1.8102     0.8562	C.3	1	noname	0.2309
12	C6    -2.3421     1.5236     3.8847	C.3	1	noname	-0.0047
13	C7     0.0713     0.3787     5.7584	C.3	1	noname	-0.0283
14	C8     1.9623     0.0733     4.2561	C.2	1	noname	0.1535
15	C9    -3.5837     2.0846     0.8416	C.3	1	noname	-0.0025
16	C10    -1.5444     2.1609    -0.5253	C.2	1	noname	0.1732
17	C11     2.6127    -1.2037     4.6822	C.3	1	noname	-0.0027
18	C12    -1.4572     3.5162    -1.1218	C.3	1	noname	0.0000
19	H1    -1.1993    -1.0297     3.6260	H	1	noname	0.0358
20	H2     0.3215    -1.3753     2.8039	H	1	noname	0.0358
21	H3    -3.2760     1.3618     3.3775	H	1	noname	0.0287
22	H4    -2.4662     2.4586     4.4033	H	1	noname	0.0287
23	H5    -2.3113     0.7308     4.6098	H	1	noname	0.0287
24	H6     0.2891    -0.5898     6.2085	H	1	noname	0.0264
25	H7    -0.9940     0.5904     5.8494	H	1	noname	0.0264
26	H8     0.6409     1.1539     6.2709	H	1	noname	0.0264
27	H9     0.5391    -0.1350     0.6347	H	1	noname	0.2138
28	H10    -3.7632     3.1288     0.5856	H	1	noname	0.0290
29	H11    -3.9998     1.8754     1.8271	H	1	noname	0.0290
30	H12    -4.0610     1.4419     0.1018	H	1	noname	0.0290
31	H13     3.2820    -1.0086     5.5201	H	1	noname	0.0311
32	H14     1.8472    -1.9172     4.9872	H	1	noname	0.0311
33	H15     3.1830    -1.6163     3.8500	H	1	noname	0.0311
34	H16    -2.4540     3.9539    -1.1765	H	1	noname	0.0312
35	H17    -1.0360     3.4454    -2.1246	H	1	noname	0.0312
36	H18    -0.8177     4.1452    -0.5026	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