@<TRIPOS>MOLECULE
57823857
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5820     1.5944     0.3710	O.3	1	noname	-0.3308
2	O2     0.8824    -0.0637    -1.0742	O.3	1	noname	-0.3056
3	O3     1.6217     2.1345    -1.1030	O.3	1	noname	-0.3058
4	O4     1.1314     0.6850     1.1661	O.3	1	noname	-0.3610
5	O5     6.2472     1.1707     0.3917	O.2	1	noname	-0.2888
6	O6    -1.5117     0.9235    -0.2954	O.2	1	noname	-0.2786
7	C1     1.8359     0.1994    -0.0110	C.3	1	noname	0.2270
8	C2     2.6802     1.2570    -0.6937	C.3	1	noname	0.2245
9	C3     2.9664    -0.7113     0.5269	C.3	1	noname	0.0431
10	C4     4.0960     0.3346     0.9276	C.3	1	noname	0.1321
11	C5     0.5146     1.2806    -1.5461	C.3	1	noname	0.2309
12	C6     3.5089     0.8742    -1.9748	C.3	1	noname	-0.0047
13	C7     4.2646     0.4630     2.4834	C.3	1	noname	-0.0283
14	C8     5.4979     0.1643     0.4157	C.2	1	noname	0.1535
15	C9     0.3268     1.3077    -3.1068	C.3	1	noname	-0.0025
16	C10    -0.8074     1.7075    -0.9465	C.2	1	noname	0.1732
17	C11     6.1292    -1.0911    -0.0199	C.3	1	noname	-0.0027
18	C12    -1.4211     3.0391    -1.1658	C.3	1	noname	0.0000
19	H1     2.6176    -1.2640     1.4003	H	1	noname	0.0358
20	H2     3.2666    -1.4395    -0.2314	H	1	noname	0.0358
21	H3     2.9378     0.3324    -2.7142	H	1	noname	0.0287
22	H4     4.3541     0.2260    -1.8007	H	1	noname	0.0287
23	H5     3.9055     1.7756    -2.4006	H	1	noname	0.0287
24	H6     4.6960    -0.4422     2.9355	H	1	noname	0.0264
25	H7     3.2991     0.6519     2.9453	H	1	noname	0.0264
26	H8     4.9286     1.3017     2.7237	H	1	noname	0.0264
27	H9     0.6475    -0.0880     1.5548	H	1	noname	0.2138
28	H10     0.0236     2.2866    -3.4710	H	1	noname	0.0290
29	H11    -0.3973     0.5623    -3.4272	H	1	noname	0.0290
30	H12     1.2260     1.0931    -3.6596	H	1	noname	0.0290
31	H13     6.0931    -1.8169     0.7925	H	1	noname	0.0311
32	H14     5.5948    -1.4859    -0.8839	H	1	noname	0.0311
33	H15     7.1677    -0.9006    -0.2909	H	1	noname	0.0311
34	H16    -0.7858     3.8086    -0.7273	H	1	noname	0.0312
35	H17    -2.4041     3.0680    -0.6957	H	1	noname	0.0312
36	H18    -1.5246     3.2196    -2.2358	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