@<TRIPOS>MOLECULE
92143153
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4319    -0.9906     1.3200	O.3	1	noname	-0.3667
2	O2     2.3770     1.2044     0.3308	O.3	1	noname	-0.3683
3	O3    -3.7323     0.0983     3.5418	O.2	1	noname	-0.3005
4	C1    -2.1068    -2.2344     1.6010	C.3	1	noname	0.0737
5	C2    -0.9614    -3.2676     1.8729	C.3	1	noname	-0.0209
6	C3     0.2659    -2.5637     1.2692	C.3	1	noname	-0.0196
7	C4    -0.2814    -1.3171     0.5369	C.3	1	noname	0.0854
8	C5    -2.9482    -2.0114     2.9131	C.3	1	noname	0.0391
9	C6    -2.8544    -2.7327     0.3216	C.3	1	noname	-0.0353
10	C7     0.5942    -0.1546     0.3599	C.2	1	noname	0.0167
11	C8    -3.9627    -0.9175     2.8381	C.2	1	noname	0.0938
12	C9     0.2131     1.0409    -0.2352	C.2	1	noname	0.0104
13	C10     1.9368    -0.0215     0.6932	C.2	1	noname	0.0481
14	C11    -5.0593    -0.9901     1.9747	C.2	1	noname	0.0194
15	C12     1.3332     1.8568    -0.2358	C.2	1	noname	0.0396
16	C13    -6.2538    -0.3843     2.0417	C.2	1	noname	-0.0422
17	C14    -7.2179    -0.4859     0.9655	C.3	1	noname	-0.0438
18	C15    -6.7326     0.4184     3.1338	C.3	1	noname	-0.0438
19	H1    -1.1222    -4.2519     1.4180	H	1	noname	0.0297
20	H2    -0.8118    -3.4686     2.9371	H	1	noname	0.0297
21	H3     0.7790    -3.2283     0.5727	H	1	noname	0.0297
22	H4     0.9323    -2.2777     2.0858	H	1	noname	0.0297
23	H5    -0.6000    -1.5801    -0.4788	H	1	noname	0.0655
24	H6    -3.4606    -2.9291     3.1924	H	1	noname	0.0379
25	H7    -2.2751    -1.7981     3.7561	H	1	noname	0.0379
26	H8    -3.5956    -3.4676     0.6008	H	1	noname	0.0260
27	H9    -3.3176    -1.8984    -0.2066	H	1	noname	0.0260
28	H10    -2.1245    -3.1711    -0.3590	H	1	noname	0.0260
29	H11    -0.7129     1.2723    -0.6035	H	1	noname	0.0648
30	H12     2.5082    -0.7388     1.1400	H	1	noname	0.0904
31	H13    -4.9593    -1.6080     1.1973	H	1	noname	0.0659
32	H14     1.3670     2.8022    -0.6074	H	1	noname	0.0900
33	H15    -6.7590    -0.1829     4.0425	H	1	noname	0.0276
34	H16    -7.4798    -1.5324     0.8098	H	1	noname	0.0276
35	H17    -8.1137     0.0780     1.2257	H	1	noname	0.0276
36	H18    -6.7857    -0.0796     0.0510	H	1	noname	0.0276
37	H19    -7.7362     0.7786     2.9073	H	1	noname	0.0276
38	H20    -6.0659     1.2683     3.2797	H	1	noname	0.0276
@<TRIPOS>BOND
1	1	4	1
2	1	7	1
3	2	13	1
4	2	15	1
5	3	11	2
6	4	5	1
7	4	8	1
8	4	9	1
9	5	6	1
10	5	19	1
11	5	20	1
12	6	7	1
13	6	21	1
14	6	22	1
15	7	10	1
16	7	23	1
17	8	11	1
18	8	24	1
19	8	25	1
20	9	26	1
21	9	27	1
22	9	28	1
23	10	12	1
24	10	13	2
25	11	14	1
26	12	15	2
27	12	29	1
28	13	30	1
29	14	16	2
30	14	31	1
31	15	32	1
32	16	17	1
33	16	18	1
34	17	34	1
35	17	35	1
36	17	36	1
37	18	33	1
38	18	37	1
39	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1