@<TRIPOS>MOLECULE
71353509
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4073     3.7223     0.1362	O.3	1	noname	-0.2870
2	C1     0.5992    -1.9589    -0.2080	C.3	1	noname	0.0148
3	C2     0.3910    -2.5672     1.2308	C.3	1	noname	-0.0414
4	C3     0.1693    -4.1275     1.3397	C.3	1	noname	-0.0434
5	C4     0.0941    -4.6478     2.7975	C.3	1	noname	-0.0509
6	C5     0.8037    -0.4598    -0.0325	C.2	1	noname	-0.0663
7	C6     1.8096    -2.6880    -0.9104	C.3	1	noname	-0.0558
8	C7    -0.6435    -2.1338    -1.1812	C.3	1	noname	-0.0558
9	C8    -1.1203    -4.6697     0.6274	C.3	1	noname	-0.0625
10	C9     1.3753    -4.4359     3.6315	C.3	1	noname	-0.0559
11	C10     2.1153     0.1045     0.0917	C.2	1	noname	-0.0520
12	C11    -0.2860     0.4696     0.0118	C.2	1	noname	-0.0520
13	C12     1.2765    -4.8993     5.0950	C.3	1	noname	-0.0654
14	C13     2.3170     1.4924     0.1343	C.2	1	noname	-0.0331
15	C14    -0.0854     1.8623     0.0317	C.2	1	noname	-0.0331
16	C15     1.2135     2.3807     0.0988	C.2	1	noname	-0.0081
17	H1    -0.4129    -2.0530     1.7708	H	1	noname	0.0278
18	H2     1.2787    -2.2971     1.8135	H	1	noname	0.0278
19	H3     1.0125    -4.6413     0.8867	H	1	noname	0.0300
20	H4    -0.0703    -5.7271     2.7607	H	1	noname	0.0269
21	H5    -0.7619    -4.1785     3.2815	H	1	noname	0.0269
22	H6    -0.6395    -1.3611    -1.9638	H	1	noname	0.0239
23	H7    -0.6889    -3.0909    -1.7157	H	1	noname	0.0239
24	H8    -1.5831    -2.0119    -0.6494	H	1	noname	0.0239
25	H9     2.0273    -2.2079    -1.8577	H	1	noname	0.0239
26	H10     1.6061    -3.7383    -1.1192	H	1	noname	0.0239
27	H11     2.7114    -2.6604    -0.3065	H	1	noname	0.0239
28	H12    -1.3677    -5.7035     0.9252	H	1	noname	0.0233
29	H13    -1.9827    -4.0668     0.9004	H	1	noname	0.0233
30	H14    -1.0330    -4.6949    -0.4508	H	1	noname	0.0233
31	H15     2.2118    -4.9391     3.1467	H	1	noname	0.0264
32	H16     1.5773    -3.3651     3.6570	H	1	noname	0.0264
33	H17     2.9487    -0.4808     0.1374	H	1	noname	0.0626
34	H18    -1.2613     0.1509    -0.0075	H	1	noname	0.0626
35	H19     2.2234    -4.7102     5.6007	H	1	noname	0.0230
36	H20     1.0558    -5.9663     5.1241	H	1	noname	0.0230
37	H21     0.4803    -4.3497     5.5972	H	1	noname	0.0230
38	H22     3.2770     1.8708     0.1825	H	1	noname	0.0650
39	H23    -0.9010     2.4905    -0.0084	H	1	noname	0.0650
40	H24     2.3673     3.9124     0.1871	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	16	1
2	1	40	1
3	2	3	1
4	2	6	1
5	2	7	1
6	2	8	1
7	3	4	1
8	3	17	1
9	3	18	1
10	4	5	1
11	4	9	1
12	4	19	1
13	5	10	1
14	5	20	1
15	5	21	1
16	6	11	2
17	6	12	1
18	7	25	1
19	7	26	1
20	7	27	1
21	8	22	1
22	8	23	1
23	8	24	1
24	9	28	1
25	9	29	1
26	9	30	1
27	10	13	1
28	10	31	1
29	10	32	1
30	11	14	1
31	11	33	1
32	12	15	2
33	12	34	1
34	13	35	1
35	13	36	1
36	13	37	1
37	14	16	2
38	14	38	1
39	15	16	1
40	15	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1