@<TRIPOS>MOLECULE
119025975
38 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.8669     3.8425     0.7810	O.3	1	noname	-0.3486
2	O2     1.5822     3.7145     0.2170	O.3	1	noname	-0.2475
3	O3     5.1364     0.6661     0.4429	O.3	1	noname	-0.3898
4	O4     2.0262    -0.9735     0.0702	O.3	1	noname	-0.2742
5	O5    -0.2223    -2.4073     0.2101	O.2	1	noname	-0.2898
6	O6    -3.3337     1.5960     1.2065	O.2	1	noname	-0.2934
7	O7    -0.7562    -3.6909     2.5561	O.3	1	noname	-0.2757
8	O8    -3.7273    -1.3976     5.5938	O.3	1	noname	-0.2813
9	C1     3.0522     1.7754    -0.1463	C.3	1	noname	0.0864
10	C2     2.9216     3.3095    -0.1529	C.3	1	noname	0.1730
11	C3     4.0475     1.4168     0.9661	C.3	1	noname	0.0895
12	C4     1.6885     1.4237     0.1714	C.2	1	noname	0.0357
13	C5     4.5073     2.7756     1.4964	C.3	1	noname	0.0767
14	C6     0.8941     2.5552     0.3840	C.2	1	noname	0.0421
15	C7     1.2326     0.0954     0.2938	C.2	1	noname	0.0616
16	C8    -0.1149    -0.0233     0.6674	C.2	1	noname	0.0359
17	C9    -0.4719     2.4477     0.7694	C.2	1	noname	0.0121
18	C10    -0.9619     1.1169     0.9225	C.2	1	noname	0.0369
19	C11    -0.5607    -1.4160     0.8921	C.2	1	noname	0.0910
20	C12    -2.3351     0.8892     1.4626	C.2	1	noname	0.0855
21	C13    -1.4715    -1.4425     2.0547	C.2	1	noname	0.0315
22	C14    -2.3381    -0.3061     2.3525	C.2	1	noname	0.0388
23	C15    -1.4751    -2.5969     2.8859	C.2	1	noname	0.0571
24	C16    -3.1246    -0.2898     3.5422	C.2	1	noname	0.0060
25	C17    -3.0500    -1.4171     4.4262	C.2	1	noname	0.0354
26	C18    -2.2607    -2.5668     4.0799	C.2	1	noname	0.0220
27	H1     3.3561     1.3619    -1.1148	H	1	noname	0.0434
28	H2     3.1230     3.7055    -1.1538	H	1	noname	0.0934
29	H3     3.5861     0.8398     1.7750	H	1	noname	0.0632
30	H4     4.2657     2.8526     2.5565	H	1	noname	0.0595
31	H5     5.5920     2.8671     1.4398	H	1	noname	0.0595
32	H6    -1.0601     3.2662     0.9253	H	1	noname	0.0658
33	H7     5.7598     0.4469     1.1666	H	1	noname	0.2105
34	H8     2.9237    -0.6679    -0.1779	H	1	noname	0.2182
35	H9    -3.7261     0.5049     3.7593	H	1	noname	0.0658
36	H10    -2.2610    -3.3779     4.6985	H	1	noname	0.0677
37	H11    -0.8796    -4.3813     3.2406	H	1	noname	0.2182
38	H12    -4.2110    -0.5494     5.6768	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	10	1
2	1	13	1
3	2	10	1
4	2	14	1
5	11	3	1
6	3	33	1
7	4	15	1
8	4	34	1
9	5	19	2
10	6	20	2
11	7	23	1
12	7	37	1
13	8	25	1
14	8	38	1
15	9	10	1
16	9	11	1
17	9	12	1
18	9	27	1
19	10	28	1
20	11	13	1
21	11	29	1
22	12	14	2
23	12	15	1
24	13	30	1
25	13	31	1
26	14	17	1
27	15	16	2
28	16	18	1
29	16	19	1
30	17	18	2
31	17	32	1
32	18	20	1
33	19	21	1
34	20	22	1
35	21	22	2
36	21	23	1
37	22	24	1
38	23	26	2
39	24	25	2
40	24	35	1
41	25	26	1
42	26	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1