@<TRIPOS>MOLECULE
88940972
35 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1304     4.2628    -1.5241	O.3	1	noname	-0.3879
2	C1    -0.9367     1.5722     1.2617	C.2	1	noname	-0.0170
3	C2     1.3359     2.5605    -0.0553	C.2	1	noname	-0.0259
4	C3     0.3363     1.3455     1.8669	C.2	1	noname	-0.0248
5	C4     1.4645     1.9043     1.2103	C.2	1	noname	-0.0167
6	C5    -2.0914     1.1222     1.9702	C.2	1	noname	-0.0189
7	C6     2.5367     3.1644    -0.7211	C.3	1	noname	0.0832
8	C7    -1.0924     2.2698     0.0206	C.2	1	noname	-0.0331
9	C8     0.0632     2.7421    -0.6456	C.2	1	noname	-0.0301
10	C9     3.5826     3.6527     0.3429	C.3	1	noname	-0.0042
11	C10    -1.9390     0.4630     3.2397	C.2	1	noname	-0.0332
12	C11    -3.3893     1.3296     1.4080	C.2	1	noname	-0.0333
13	C12     0.4536     0.6746     3.1223	C.2	1	noname	-0.0385
14	C13     2.7405     1.8945     1.8092	C.2	1	noname	-0.0483
15	C14    -2.3916     2.4755    -0.5280	C.2	1	noname	-0.0419
16	C15     3.7509     2.6792     1.4024	C.2	1	noname	-0.0698
17	C16    -0.6813     0.2452     3.8263	C.2	1	noname	-0.0411
18	C17    -3.5351     1.9963     0.1634	C.2	1	noname	-0.0418
19	C18    -3.0766    -0.0146     3.9265	C.2	1	noname	-0.0455
20	C19    -4.5122     0.8385     2.1265	C.2	1	noname	-0.0456
21	C20    -4.3591     0.1697     3.3716	C.2	1	noname	-0.0529
22	H1     3.0353     2.3693    -1.2755	H	1	noname	0.0655
23	H2    -0.0211     3.2114    -1.5473	H	1	noname	0.0633
24	H3     3.2521     4.6000     0.7690	H	1	noname	0.0340
25	H4     4.5431     3.9039    -0.1069	H	1	noname	0.0340
26	H5     1.3798     0.5044     3.5142	H	1	noname	0.0629
27	H6     2.8994     1.2782     2.5675	H	1	noname	0.0625
28	H7    -2.4996     2.9662    -1.4157	H	1	noname	0.0629
29	H8     4.6352     2.5902     1.8384	H	1	noname	0.0577
30	H9    -0.5959    -0.2104     4.7349	H	1	noname	0.0629
31	H10    -4.4641     2.1314    -0.2354	H	1	noname	0.0629
32	H11    -2.9705    -0.4916     4.8218	H	1	noname	0.0629
33	H12    -5.4476     0.9684     1.7410	H	1	noname	0.0629
34	H13    -5.1809    -0.1783     3.8655	H	1	noname	0.0623
35	H14     2.9149     4.6573    -1.9591	H	1	noname	0.2109
@<TRIPOS>BOND
1	7	1	1
2	1	35	1
3	2	4	2
4	2	6	1
5	2	8	1
6	3	5	2
7	3	7	1
8	3	9	1
9	4	5	1
10	4	13	1
11	5	14	1
12	6	11	1
13	6	12	2
14	7	10	1
15	7	22	1
16	8	9	2
17	8	15	1
18	9	23	1
19	10	16	1
20	10	24	1
21	10	25	1
22	11	17	1
23	11	19	2
24	12	18	1
25	12	20	1
26	13	17	2
27	13	26	1
28	14	16	2
29	14	27	1
30	15	18	2
31	15	28	1
32	16	29	1
33	17	30	1
34	18	31	1
35	19	21	1
36	19	32	1
37	20	21	2
38	20	33	1
39	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1