@<TRIPOS>MOLECULE
71587448
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5568     0.7277     0.9786	O.3	1	noname	-0.3432
2	O2    -1.9634     2.9264     0.8217	O.3	1	noname	-0.3459
3	C1     2.0816     1.5505    -1.9705	C.3	1	noname	-0.0170
4	C2     0.8486     1.2572    -2.8682	C.3	1	noname	-0.0425
5	C3    -0.4110     1.0263    -1.9929	C.3	1	noname	-0.0265
6	C4    -0.4542     1.8640    -0.7693	C.2	1	noname	-0.0402
7	C5     1.8562     2.7519    -1.0057	C.3	1	noname	-0.0280
8	C6    -1.6747     1.7785     0.0092	C.3	1	noname	0.1800
9	C7     0.5675     2.6318    -0.3279	C.2	1	noname	-0.0581
10	C8    -2.7058     0.9369     1.7858	C.3	1	noname	0.0818
11	C9     3.2858     1.8653    -2.8723	C.2	1	noname	-0.0849
12	C10    -2.9228     2.4470     1.7602	C.3	1	noname	0.0763
13	C11    -2.4110     0.4883     3.2186	C.3	1	noname	-0.0363
14	C12     4.6097     1.5504    -2.4330	C.3	1	noname	-0.0439
15	C13     3.0965     2.4307    -4.0612	C.2	1	noname	-0.0919
16	H1     2.3131     0.6628    -1.3673	H	1	noname	0.0351
17	H2     0.6768     2.1008    -3.5366	H	1	noname	0.0276
18	H3     1.0288     0.3930    -3.5076	H	1	noname	0.0276
19	H4    -1.3056     1.2071    -2.5888	H	1	noname	0.0314
20	H5    -0.4720    -0.0095    -1.6590	H	1	noname	0.0314
21	H6     1.8835     3.6828    -1.5720	H	1	noname	0.0316
22	H7     2.6668     2.8684    -0.2863	H	1	noname	0.0316
23	H8    -2.5081     1.6311    -0.7089	H	1	noname	0.0974
24	H9     0.4338     3.1452     0.5079	H	1	noname	0.0577
25	H10    -3.5623     0.4425     1.3275	H	1	noname	0.0625
26	H11    -3.9271     2.6636     1.3959	H	1	noname	0.0594
27	H12    -2.7433     2.9195     2.7259	H	1	noname	0.0594
28	H13    -3.2931     0.6489     3.8384	H	1	noname	0.0257
29	H14    -2.1525    -0.5706     3.2219	H	1	noname	0.0257
30	H15    -1.5773     1.0670     3.6162	H	1	noname	0.0257
31	H16     4.6878     0.4779    -2.2543	H	1	noname	0.0276
32	H17     4.8240     2.0890    -1.5099	H	1	noname	0.0276
33	H18     5.3265     1.8441    -3.1998	H	1	noname	0.0276
34	H19     2.1800     2.6487    -4.3653	H	1	noname	0.0537
35	H20     3.8722     2.6334    -4.6420	H	1	noname	0.0537
@<TRIPOS>BOND
1	1	8	1
2	1	10	1
3	2	8	1
4	2	12	1
5	3	4	1
6	3	7	1
7	3	11	1
8	3	16	1
9	4	5	1
10	4	17	1
11	4	18	1
12	5	6	1
13	5	19	1
14	5	20	1
15	6	8	1
16	6	9	2
17	7	9	1
18	7	21	1
19	7	22	1
20	8	23	1
21	9	24	1
22	10	12	1
23	10	13	1
24	10	25	1
25	11	14	1
26	11	15	2
27	12	26	1
28	12	27	1
29	13	28	1
30	13	29	1
31	13	30	1
32	14	31	1
33	14	32	1
34	14	33	1
35	15	34	1
36	15	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1