@<TRIPOS>MOLECULE
57823851
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.7913     0.5963     0.2129	O.3	1	noname	-0.3308
2	O2     2.6070    -0.1304     2.3314	O.3	1	noname	-0.3056
3	O3     2.1255     2.0530     1.5776	O.3	1	noname	-0.3058
4	O4     4.3956     0.3207     0.8237	O.3	1	noname	-0.3610
5	O5    -0.3296    -0.3459    -2.2612	O.2	1	noname	-0.2888
6	O6    -0.0209     0.7314     2.9245	O.2	1	noname	-0.2786
7	C1     2.9811     0.0443     0.9753	C.3	1	noname	0.2270
8	C2     2.0913     1.1770     0.4482	C.3	1	noname	0.2245
9	C3     2.4934    -1.1165     0.1214	C.3	1	noname	0.0431
10	C4     1.0324    -0.7326    -0.3372	C.3	1	noname	0.1321
11	C5     2.2903     1.2049     2.7443	C.3	1	noname	0.2309
12	C6     2.6001     1.8333    -0.8636	C.3	1	noname	-0.0047
13	C7     0.0306    -1.7056     0.3392	C.3	1	noname	-0.0283
14	C8     0.7985    -0.7420    -1.8457	C.2	1	noname	0.1535
15	C9     3.4961     1.6904     3.5792	C.3	1	noname	-0.0025
16	C10     0.9970     1.1486     3.5118	C.2	1	noname	0.1732
17	C11     1.7197    -1.1476    -2.9353	C.3	1	noname	-0.0027
18	C12     0.7591     1.5260     4.9126	C.3	1	noname	0.0000
19	H1     2.5619    -2.1138     0.5792	H	1	noname	0.0358
20	H2     3.2102    -1.0909    -0.6725	H	1	noname	0.0358
21	H3     3.5939     2.2542    -0.7391	H	1	noname	0.0287
22	H4     2.7059     1.1001    -1.6524	H	1	noname	0.0287
23	H5     1.8851     2.5769    -1.2142	H	1	noname	0.0287
24	H6     0.1728    -2.7078    -0.0820	H	1	noname	0.0264
25	H7    -1.0143    -1.4019     0.1915	H	1	noname	0.0264
26	H8     0.2177    -1.7603     1.4211	H	1	noname	0.0264
27	H9     4.8498    -0.4991     1.1049	H	1	noname	0.2138
28	H10     3.2937     2.7069     3.9113	H	1	noname	0.0290
29	H11     3.6138     1.0332     4.4444	H	1	noname	0.0290
30	H12     4.4371     1.6820     3.0181	H	1	noname	0.0290
31	H13     2.6832    -1.5321    -2.5964	H	1	noname	0.0311
32	H14     1.2324    -1.8923    -3.5647	H	1	noname	0.0311
33	H15     1.8542    -0.2911    -3.5960	H	1	noname	0.0311
34	H16     1.3874     0.9187     5.5642	H	1	noname	0.0312
35	H17    -0.2892     1.3597     5.1607	H	1	noname	0.0312
36	H18     1.0027     2.5793     5.0516	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