@<TRIPOS>MOLECULE
71587431
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3888     1.4839    -0.0642	O.3	1	noname	-0.2570
2	O2     1.8530     3.6794    -0.1144	O.3	1	noname	-0.2345
3	N1    -0.0502     2.4409     0.0347	N.2	1	noname	-0.2189
4	C1     1.3904    -0.0606     0.0259	C.2	1	noname	0.0207
5	C2    -0.0777     0.0157     0.1693	C.2	1	noname	-0.0143
6	C3    -0.7461     1.2999     0.1338	C.2	1	noname	0.0164
7	C4     2.2546    -1.3178    -0.0663	C.2	1	noname	-0.0375
8	C5     2.0385     1.2377    -0.0059	C.2	1	noname	0.0583
9	C6    -1.0386    -1.0321     0.3617	C.2	1	noname	-0.0330
10	C7     1.2839     2.4509    -0.0330	C.2	1	noname	0.0804
11	C8    -2.1532     1.4920     0.1995	C.2	1	noname	-0.0123
12	C9     3.6808    -1.3532    -0.2876	C.2	1	noname	-0.0401
13	C10     1.7617    -2.6584     0.0047	C.2	1	noname	-0.0401
14	C11    -2.4414    -0.8823     0.3727	C.2	1	noname	-0.0522
15	C12    -3.0027     0.3889     0.2944	C.2	1	noname	-0.0431
16	C13     4.5071    -2.5005    -0.1682	C.2	1	noname	-0.0554
17	C14     2.5350    -3.8421     0.0512	C.2	1	noname	-0.0554
18	C15     3.9289    -3.7694    -0.0230	C.2	1	noname	-0.0538
19	C16     4.0583     1.5294     1.1992	C.3	1	noname	0.0425
20	C17     1.9841     4.0509    -1.4787	C.3	1	noname	0.0441
21	H1    -0.8070    -1.9735     0.5538	H	1	noname	0.0629
22	H2    -2.5660     2.4315     0.1806	H	1	noname	0.0645
23	H3     4.1902    -0.5372    -0.5924	H	1	noname	0.0629
24	H4     0.8083    -2.8795    -0.0297	H	1	noname	0.0629
25	H5    -3.0525    -1.6993     0.4616	H	1	noname	0.0622
26	H6    -4.0187     0.5027     0.3262	H	1	noname	0.0623
27	H7     5.5264    -2.4634    -0.2087	H	1	noname	0.0622
28	H8     2.0652    -4.7615     0.0865	H	1	noname	0.0622
29	H9     4.4973    -4.6292    -0.0221	H	1	noname	0.0622
30	H10     5.1182     1.7293     1.0418	H	1	noname	0.0535
31	H11     3.6262     2.3213     1.8111	H	1	noname	0.0535
32	H12     3.9406     0.5724     1.7075	H	1	noname	0.0535
33	H13     2.4414     5.0381    -1.5441	H	1	noname	0.0535
34	H14     0.9992     4.0750    -1.9450	H	1	noname	0.0535
35	H15     2.6124     3.3245    -1.9942	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	1
2	1	19	1
3	2	10	1
4	2	20	1
5	3	6	1
6	3	10	2
7	4	5	1
8	4	7	1
9	4	8	2
10	5	6	1
11	5	9	2
12	6	11	2
13	7	12	2
14	7	13	1
15	8	10	1
16	9	14	1
17	9	21	1
18	11	15	1
19	11	22	1
20	12	16	1
21	12	23	1
22	13	17	2
23	13	24	1
24	14	15	2
25	14	25	1
26	15	26	1
27	16	18	2
28	16	27	1
29	17	18	1
30	17	28	1
31	18	29	1
32	19	30	1
33	19	31	1
34	19	32	1
35	20	33	1
36	20	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1