@<TRIPOS>MOLECULE
56597779
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0446    -1.0593    -0.0815	O.3	1	noname	-0.1536
2	O2     4.0318    -2.0968     0.1359	O.2	1	noname	-0.2562
3	C1    -0.6417    -1.1955     0.6842	C.3	1	noname	0.0210
4	C2    -0.0056     0.0667     0.3183	C.2	1	noname	-0.0237
5	C3    -0.4822    -1.4299     2.1878	C.3	1	noname	-0.0586
6	C4    -2.1295    -1.1378     0.3321	C.3	1	noname	-0.0586
7	C5     1.3328     0.0875    -0.0562	C.2	1	noname	-0.0016
8	C6    -0.7385     1.2475     0.3443	C.2	1	noname	-0.0549
9	C7     1.2055     2.4700    -0.3786	C.2	1	noname	-0.0555
10	C8     1.9384     1.2892    -0.4046	C.2	1	noname	-0.0263
11	C9    -0.1329     2.4491    -0.0041	C.2	1	noname	-0.0703
12	C10     1.8416     3.7322    -0.7446	C.3	1	noname	-0.0016
13	C11     3.3728    -1.0349     0.1593	C.2	1	noname	0.1501
14	H1    -0.1702    -2.0120     0.1372	H	1	noname	0.0347
15	H2    -0.9570    -2.3722     2.4610	H	1	noname	0.0236
16	H3    -0.9536    -0.6134     2.7348	H	1	noname	0.0236
17	H4     0.5778    -1.4710     2.4386	H	1	noname	0.0236
18	H5    -2.6043    -2.0801     0.6053	H	1	noname	0.0236
19	H6    -2.6009    -0.3213     0.8791	H	1	noname	0.0236
20	H7    -2.2431    -0.9709    -0.7391	H	1	noname	0.0236
21	H8    -1.7207     1.2322     0.6191	H	1	noname	0.0626
22	H9     2.9206     1.3045    -0.6794	H	1	noname	0.0653
23	H10    -0.6707     3.3156     0.0150	H	1	noname	0.0625
24	H11     2.2065     3.6713    -1.7699	H	1	noname	0.0279
25	H12     1.1157     4.5414    -0.6647	H	1	noname	0.0279
26	H13     2.6774     3.9261    -0.0724	H	1	noname	0.0279
27	H14     3.8384    -0.1500     0.3604	H	1	noname	0.1390
@<TRIPOS>BOND
1	1	7	1
2	1	13	1
3	2	13	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	14	1
8	4	7	2
9	4	8	1
10	5	15	1
11	5	16	1
12	5	17	1
13	6	18	1
14	6	19	1
15	6	20	1
16	7	10	1
17	8	11	2
18	8	21	1
19	9	10	2
20	9	11	1
21	9	12	1
22	10	22	1
23	11	23	1
24	12	24	1
25	12	25	1
26	12	26	1
27	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1