@<TRIPOS>MOLECULE
119057590
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5774     0.0857    -2.2908	O.3	1	noname	-0.2542
2	O2     0.6105    -1.4549    -3.6351	O.3	1	noname	-0.3667
3	O3     1.4459    -0.4091     2.8092	O.3	1	noname	-0.2875
4	C1     1.8616    -0.0250    -2.1194	C.3	1	noname	0.0612
5	C2     1.2027    -0.0717    -0.8319	C.2	1	noname	-0.0096
6	C3     0.6306    -0.1596    -3.0343	C.3	1	noname	0.1696
7	C4    -0.1901    -0.0001    -0.9970	C.2	1	noname	-0.0117
8	C5    -2.5152     0.1362    -0.0599	C.3	1	noname	0.0294
9	C6    -1.0728    -0.0101     0.1126	C.2	1	noname	-0.0114
10	C7     2.4963     1.3529    -2.3178	C.3	1	noname	-0.0508
11	C8     2.9591    -1.0751    -2.3030	C.3	1	noname	-0.0508
12	C9     1.8078    -0.1845     0.4421	C.2	1	noname	-0.0260
13	C10    -0.4873    -0.1700     1.4109	C.2	1	noname	-0.0273
14	C11    -2.8879     1.6190    -0.0030	C.3	1	noname	-0.0560
15	C12    -3.2413    -0.6155     1.0575	C.3	1	noname	-0.0560
16	C13    -2.9280    -0.4418    -1.4151	C.3	1	noname	-0.0560
17	C14     0.9271    -0.2566     1.5722	C.2	1	noname	-0.0115
18	H1     0.6969     0.5795    -3.8279	H	1	noname	0.0933
19	H2     3.4005    -0.9699    -3.2941	H	1	noname	0.0241
20	H3     2.5293    -2.0716    -2.2006	H	1	noname	0.0241
21	H4     2.9927     1.3881    -3.2877	H	1	noname	0.0241
22	H5     1.7218     2.1188    -2.2781	H	1	noname	0.0241
23	H6     3.2267     1.5335    -1.5291	H	1	noname	0.0241
24	H7     3.7293    -0.9320    -1.5452	H	1	noname	0.0241
25	H8     2.8215    -0.2132     0.5517	H	1	noname	0.0654
26	H9    -1.0908    -0.2226     2.2315	H	1	noname	0.0654
27	H10    -4.0048    -0.3326    -1.5439	H	1	noname	0.0239
28	H11    -2.4107     0.0937    -2.2112	H	1	noname	0.0239
29	H12    -3.9648     1.7282    -0.1318	H	1	noname	0.0239
30	H13    -2.3706     2.1545    -0.7991	H	1	noname	0.0239
31	H14    -2.5939     2.0307     0.9625	H	1	noname	0.0239
32	H15    -4.3182    -0.5063     0.9287	H	1	noname	0.0239
33	H16    -2.9758    -1.6718     1.0170	H	1	noname	0.0239
34	H17    -2.9473    -0.2037     2.0230	H	1	noname	0.0239
35	H18    -2.6624    -1.4981    -1.4557	H	1	noname	0.0239
36	H19    -0.1525    -1.5196    -4.2468	H	1	noname	0.2133
37	H20     2.4232    -0.4515     2.7506	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	2	6	1
4	2	36	1
5	3	17	1
6	3	37	1
7	4	5	1
8	4	6	1
9	4	10	1
10	4	11	1
11	5	7	2
12	5	12	1
13	6	18	1
14	7	9	1
15	8	9	1
16	8	14	1
17	8	15	1
18	8	16	1
19	9	13	2
20	10	21	1
21	10	22	1
22	10	23	1
23	11	19	1
24	11	20	1
25	11	24	1
26	12	17	2
27	12	25	1
28	13	17	1
29	13	26	1
30	14	29	1
31	14	30	1
32	14	31	1
33	15	32	1
34	15	33	1
35	15	34	1
36	16	27	1
37	16	28	1
38	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1