@<TRIPOS>MOLECULE
118984436
33 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0483     2.3959    -0.3226	O.3	1	noname	-0.3592
2	C1     0.8453     1.9166    -0.9239	C.3	1	noname	0.1152
3	C2     2.0599     1.0142    -0.7300	C.3	1	noname	0.1146
4	C3    -0.2477     1.3623    -0.1022	C.2	1	noname	-0.0057
5	C4     1.5389    -0.0170     0.1860	C.2	1	noname	-0.0226
6	C5     0.2025     0.2219     0.5252	C.2	1	noname	-0.0138
7	C6    -1.5766     1.7987     0.1424	C.2	1	noname	-0.0142
8	C7    -0.5702    -0.5924     1.4020	C.2	1	noname	-0.0299
9	C8    -2.4057     0.9841     1.0184	C.2	1	noname	-0.0290
10	C9     2.1801    -1.1562     0.7322	C.2	1	noname	-0.0422
11	C10    -1.9054    -0.1943     1.6608	C.2	1	noname	-0.0309
12	C11    -2.1371     2.9955    -0.4136	C.2	1	noname	-0.0262
13	C12     0.0762    -1.7477     1.9226	C.2	1	noname	-0.0452
14	C13     1.4406    -2.0249     1.5917	C.2	1	noname	-0.0527
15	C14    -3.5577     3.2398    -0.2448	C.2	1	noname	-0.0363
16	C15    -3.7595     1.3297     1.2706	C.2	1	noname	-0.0412
17	C16    -4.3407     2.4223     0.5990	C.2	1	noname	-0.0423
18	C17    -1.3506     3.9655    -1.1189	C.2	1	noname	-0.0430
19	C18    -4.1864     4.3575    -0.8690	C.2	1	noname	-0.0469
20	C19    -1.9721     5.0760    -1.7360	C.2	1	noname	-0.0562
21	C20    -3.3738     5.2574    -1.6206	C.2	1	noname	-0.0568
22	H1     0.6636     2.1761    -1.9664	H	1	noname	0.0687
23	H2     2.4151     0.7413    -1.7265	H	1	noname	0.0686
24	H3     3.1569    -1.3535     0.5146	H	1	noname	0.0626
25	H4    -2.4974    -0.7354     2.2910	H	1	noname	0.0635
26	H5    -0.4359    -2.3822     2.5354	H	1	noname	0.0629
27	H6     1.8918    -2.8554     1.9753	H	1	noname	0.0622
28	H7    -4.3098     0.7877     1.9368	H	1	noname	0.0629
29	H8    -5.3328     2.6244     0.7229	H	1	noname	0.0629
30	H9    -0.3383     3.8539    -1.1758	H	1	noname	0.0629
31	H10    -5.1911     4.5095    -0.7804	H	1	noname	0.0629
32	H11    -1.4125     5.7459    -2.2636	H	1	noname	0.0622
33	H12    -3.8122     6.0517    -2.0868	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	3	1	1
3	2	3	1
4	2	4	1
5	2	22	1
6	3	5	1
7	3	23	1
8	4	6	2
9	4	7	1
10	5	6	1
11	5	10	2
12	6	8	1
13	7	9	2
14	7	12	1
15	8	11	2
16	8	13	1
17	9	11	1
18	9	16	1
19	10	14	1
20	10	24	1
21	11	25	1
22	12	15	1
23	12	18	2
24	13	14	2
25	13	26	1
26	14	27	1
27	15	17	1
28	15	19	2
29	16	17	2
30	16	28	1
31	17	29	1
32	18	20	1
33	18	30	1
34	19	21	1
35	19	31	1
36	20	21	2
37	20	32	1
38	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1