@<TRIPOS>MOLECULE
72941509
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1704    -1.9641    -3.0565	O.2	1	noname	-0.3005
2	O2     0.1290     0.4207     2.0610	O.3	1	noname	-0.2833
3	C1    -1.8833    -2.9568     0.3430	C.3	1	noname	-0.0049
4	C2    -1.4498    -1.5867     0.9600	C.3	1	noname	-0.0197
5	C3    -2.9271    -2.8089    -0.8136	C.3	1	noname	0.0174
6	C4    -1.8323    -0.3704     0.1718	C.2	1	noname	-0.0064
7	C5    -2.4361    -3.8094     1.3914	C.2	1	noname	-0.0532
8	C6    -2.4137    -1.7699    -1.8459	C.2	1	noname	0.0967
9	C7    -2.2749    -0.5243    -1.1110	C.2	1	noname	0.0346
10	C8    -1.8291     0.9244     0.7314	C.2	1	noname	-0.0163
11	C9    -1.8453    -5.0356     1.6735	C.2	1	noname	-0.0561
12	C10    -3.5532    -3.3950     2.1073	C.2	1	noname	-0.0561
13	C11    -0.8175     1.3107     1.6942	C.2	1	noname	0.0074
14	C12    -2.8318     1.9059     0.3407	C.2	1	noname	-0.0422
15	C13    -2.3716    -5.8473     2.6716	C.2	1	noname	-0.0603
16	C14    -4.0795    -4.2068     3.1054	C.2	1	noname	-0.0603
17	C15    -3.4887    -5.4329     3.3875	C.2	1	noname	-0.0615
18	C16    -0.8103     2.6188     2.2582	C.2	1	noname	-0.0304
19	C17    -2.8340     3.2251     0.8791	C.2	1	noname	-0.0711
20	C18    -1.8168     3.5301     1.8299	C.2	1	noname	-0.0540
21	H1    -0.9887    -3.3926    -0.1017	H	1	noname	0.0360
22	H2    -1.8450    -1.5028     1.9723	H	1	noname	0.0322
23	H3    -0.3752    -1.5716     1.1421	H	1	noname	0.0322
24	H4    -3.8794    -2.4731    -0.4030	H	1	noname	0.0356
25	H5    -3.0751    -3.7843    -1.2771	H	1	noname	0.0356
26	H6    -2.5287     0.3027    -1.5924	H	1	noname	0.0662
27	H7    -1.0256    -5.3396     1.1482	H	1	noname	0.0625
28	H8    -3.9867    -2.4953     1.9002	H	1	noname	0.0625
29	H9    -3.5496     1.6426    -0.3345	H	1	noname	0.0629
30	H10    -1.9381    -6.7471     2.8787	H	1	noname	0.0622
31	H11    -4.8992    -3.9027     3.6307	H	1	noname	0.0622
32	H12    -3.8749    -6.0286     4.1199	H	1	noname	0.0622
33	H13    -0.1082     2.8931     2.9454	H	1	noname	0.0650
34	H14    -3.5289     3.9168     0.5980	H	1	noname	0.0622
35	H15    -1.8095     4.4676     2.2319	H	1	noname	0.0623
36	H16     0.7318     0.8351     2.7133	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	8	2
2	2	13	1
3	2	36	1
4	3	4	1
5	3	5	1
6	3	7	1
7	3	21	1
8	4	6	1
9	4	22	1
10	4	23	1
11	5	8	1
12	5	24	1
13	5	25	1
14	6	9	2
15	6	10	1
16	7	11	2
17	7	12	1
18	8	9	1
19	9	26	1
20	10	13	1
21	10	14	2
22	11	15	1
23	11	27	1
24	12	16	2
25	12	28	1
26	13	18	2
27	14	19	1
28	14	29	1
29	15	17	2
30	15	30	1
31	16	17	1
32	16	31	1
33	17	32	1
34	18	20	1
35	18	33	1
36	19	20	2
37	19	34	1
38	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1