@<TRIPOS>MOLECULE
57823848
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2293    -0.7981     2.4575	O.3	1	noname	-0.3308
2	O2     0.8639    -0.4265     0.6366	O.3	1	noname	-0.3056
3	O3    -1.4008     0.0728     0.2265	O.3	1	noname	-0.3058
4	O4     0.0838    -2.3464    -0.5303	O.3	1	noname	-0.3610
5	O5     1.2575    -0.3546     3.7335	O.2	1	noname	-0.2888
6	O6    -0.0773     1.7283     2.1742	O.2	1	noname	-0.2786
7	C1     0.0718    -1.6114     0.6951	C.3	1	noname	0.2270
8	C2    -1.2864    -1.0855     1.0544	C.3	1	noname	0.2245
9	C3     0.3512    -2.4754     1.9148	C.3	1	noname	0.0431
10	C4    -0.4387    -1.8318     3.0556	C.3	1	noname	0.1321
11	C5    -0.0541     0.5582     0.1372	C.3	1	noname	0.2309
12	C6    -2.3695    -2.1417     0.8258	C.3	1	noname	-0.0047
13	C7    -1.3599    -2.8756     3.6904	C.3	1	noname	-0.0283
14	C8     0.4294    -1.2308     4.0638	C.2	1	noname	0.1535
15	C9     0.2791     0.8721    -1.3227	C.3	1	noname	-0.0025
16	C10     0.1189     1.7652     0.9402	C.2	1	noname	0.1732
17	C11     0.3304    -1.6531     5.4579	C.3	1	noname	-0.0027
18	C12     0.5212     3.0151     0.3020	C.3	1	noname	0.0000
19	H1    -0.0218    -3.4843     1.7385	H	1	noname	0.0358
20	H2     1.4155    -2.5562     2.1359	H	1	noname	0.0358
21	H3    -2.4302    -2.3757    -0.2370	H	1	noname	0.0287
22	H4    -2.1198    -3.0446     1.3830	H	1	noname	0.0287
23	H5    -3.3301    -1.7572     1.1686	H	1	noname	0.0287
24	H6    -0.7582    -3.6623     4.1455	H	1	noname	0.0264
25	H7    -2.0026    -3.3075     2.9233	H	1	noname	0.0264
26	H8    -1.9750    -2.4005     4.4546	H	1	noname	0.0264
27	H9     1.0030    -2.6110    -0.7435	H	1	noname	0.2138
28	H10    -0.4178     1.6196    -1.7019	H	1	noname	0.0290
29	H11     0.1960    -0.0372    -1.9180	H	1	noname	0.0290
30	H12     1.2966     1.2576    -1.3884	H	1	noname	0.0290
31	H13     1.2879    -2.0597     5.7832	H	1	noname	0.0311
32	H14    -0.4401    -2.4183     5.5519	H	1	noname	0.0311
33	H15     0.0694    -0.7965     6.0794	H	1	noname	0.0311
34	H16    -0.2454     3.7717     0.4694	H	1	noname	0.0312
35	H17     0.6441     2.8532    -0.7688	H	1	noname	0.0312
36	H18     1.4652     3.3537     0.7290	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