@<TRIPOS>MOLECULE
71587038
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0210     0.5081     0.8063	O.2	1	noname	-0.2993
2	C1    -0.7859     0.2613    -0.9345	C.3	1	noname	-0.0257
3	C2    -0.7026     1.0364     0.4513	C.3	1	noname	-0.0288
4	C3     0.3921     0.6691    -1.8927	C.3	1	noname	-0.0316
5	C4    -2.1478     0.4664    -1.6655	C.3	1	noname	-0.0407
6	C5    -1.9838     0.8830     1.3253	C.3	1	noname	-0.0489
7	C6    -3.1733     1.4252    -1.0084	C.3	1	noname	-0.0203
8	C7     0.6217     0.7630     1.2369	C.3	1	noname	0.0094
9	C8    -3.2384     1.4377     0.5491	C.3	1	noname	-0.0464
10	C9     1.7271     1.1295    -1.1833	C.3	1	noname	0.0092
11	C10    -0.7573    -1.2855    -0.8570	C.3	1	noname	-0.0591
12	C11     1.8957     0.7749     0.3320	C.2	1	noname	0.1329
13	C12     0.6949    -0.4862    -2.8489	C.3	1	noname	-0.0616
14	C13    -2.8949     2.8244    -1.6033	C.2	1	noname	-0.0851
15	C14    -3.9613     3.7667    -1.7438	C.3	1	noname	-0.0439
16	C15    -1.6635     3.1519    -1.9846	C.2	1	noname	-0.0920
17	H1    -0.6648     2.1140     0.2505	H	1	noname	0.0313
18	H2     0.0732     1.5178    -2.4978	H	1	noname	0.0310
19	H3    -2.6160    -0.5024    -1.8398	H	1	noname	0.0278
20	H4    -1.9434     0.8241    -2.6746	H	1	noname	0.0278
21	H5    -2.1388    -0.1698     1.5613	H	1	noname	0.0270
22	H6    -1.8808     1.4228     2.2667	H	1	noname	0.0270
23	H7    -4.1792     1.1634    -1.3464	H	1	noname	0.0348
24	H8     0.5488    -0.1964     1.7491	H	1	noname	0.0349
25	H9     0.7459     1.4615     2.0644	H	1	noname	0.0349
26	H10    -4.1328     0.9095     0.8796	H	1	noname	0.0273
27	H11    -3.3704     2.4851     0.8205	H	1	noname	0.0273
28	H12     1.8612     2.2022    -1.3226	H	1	noname	0.0349
29	H13     2.5880     0.7404    -1.7269	H	1	noname	0.0349
30	H14    -0.8200    -1.7008    -1.8628	H	1	noname	0.0236
31	H15    -1.6037    -1.6354    -0.2660	H	1	noname	0.0236
32	H16     0.1719    -1.6086    -0.3877	H	1	noname	0.0236
33	H17     1.5115    -0.2035    -3.5132	H	1	noname	0.0233
34	H18    -0.1930    -0.7109    -3.4399	H	1	noname	0.0233
35	H19     0.9819    -1.3672    -2.2749	H	1	noname	0.0233
36	H20    -4.7296     3.3514    -2.3959	H	1	noname	0.0276
37	H21    -4.3910     3.9777    -0.7645	H	1	noname	0.0276
38	H22    -3.5760     4.6893    -2.1779	H	1	noname	0.0276
39	H23    -1.4852     4.0481    -2.3656	H	1	noname	0.0537
40	H24    -0.9252     2.4995    -1.8873	H	1	noname	0.0537
@<TRIPOS>BOND
1	1	12	2
2	2	3	1
3	2	4	1
4	2	5	1
5	2	11	1
6	3	6	1
7	3	8	1
8	3	17	1
9	4	10	1
10	4	13	1
11	4	18	1
12	5	7	1
13	5	19	1
14	5	20	1
15	6	9	1
16	6	21	1
17	6	22	1
18	7	9	1
19	7	14	1
20	7	23	1
21	8	12	1
22	8	24	1
23	8	25	1
24	9	26	1
25	9	27	1
26	10	12	1
27	10	28	1
28	10	29	1
29	11	30	1
30	11	31	1
31	11	32	1
32	13	33	1
33	13	34	1
34	13	35	1
35	14	15	1
36	14	16	2
37	15	36	1
38	15	37	1
39	15	38	1
40	16	39	1
41	16	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1