@<TRIPOS>MOLECULE
86278252
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.7260     2.6064     1.6904	O.3	1	noname	-0.3903
2	O2     3.9461     1.0709     1.2131	O.3	1	noname	-0.3903
3	O3     2.6255    -0.9584     2.6497	O.3	1	noname	-0.3818
4	C1     2.0446     1.3599    -0.2382	C.3	1	noname	-0.0158
5	C2     0.5253     1.1961    -0.3149	C.3	1	noname	-0.0480
6	C3    -0.1357     2.0592     0.7617	C.3	1	noname	-0.0502
7	C4    -1.6550     1.8953     0.6850	C.3	1	noname	-0.0247
8	C5    -2.3160     2.7584     1.7616	C.3	1	noname	0.0593
9	C6     2.5361     0.9189     1.1419	C.3	1	noname	0.0800
10	C7     2.7056     0.4968    -1.3148	C.3	1	noname	-0.0600
11	C8     2.1693    -0.5491     1.3688	C.3	1	noname	0.0726
12	C9    -1.8245     2.3174     3.1417	C.3	1	noname	-0.0364
13	C10    -1.9492     4.2264     1.5347	C.3	1	noname	-0.0364
14	C11     2.2851    -2.3208     2.8603	C.3	1	noname	0.0357
15	H1     2.3058     2.4057    -0.3999	H	1	noname	0.0327
16	H2     0.1751     1.5103    -1.2982	H	1	noname	0.0270
17	H3     0.2640     0.1503    -0.1533	H	1	noname	0.0270
18	H4     0.1256     3.1050     0.6000	H	1	noname	0.0268
19	H5     0.2144     1.7450     1.7449	H	1	noname	0.0268
20	H6    -2.0051     2.2095    -0.2982	H	1	noname	0.0295
21	H7    -1.9163     0.8495     0.8466	H	1	noname	0.0295
22	H8     2.0652     1.5338     1.9089	H	1	noname	0.0627
23	H9     3.7879     0.6135    -1.2602	H	1	noname	0.0234
24	H10     2.3554     0.8110    -2.2981	H	1	noname	0.0234
25	H11     2.4443    -0.5490    -1.1532	H	1	noname	0.0234
26	H12     1.0870    -0.6658     1.3142	H	1	noname	0.0593
27	H13     2.6402    -1.1640     0.6018	H	1	noname	0.0593
28	H14    -0.7421     2.4341     3.1964	H	1	noname	0.0259
29	H15    -0.8669     4.3431     1.5893	H	1	noname	0.0259
30	H16    -2.4201     4.8413     2.3017	H	1	noname	0.0259
31	H17    -2.2994     4.5406     0.5515	H	1	noname	0.0259
32	H18    -2.2954     2.9323     3.9087	H	1	noname	0.0259
33	H19    -2.0858     1.2716     3.3034	H	1	noname	0.0259
34	H20    -4.0409     2.8889     0.8064	H	1	noname	0.2108
35	H21     4.1810     2.0112     1.0677	H	1	noname	0.2105
36	H22     2.6353    -2.6351     3.8435	H	1	noname	0.0529
37	H23     1.2028    -2.4376     2.8057	H	1	noname	0.0529
38	H24     2.7560    -2.9357     2.0933	H	1	noname	0.0529
@<TRIPOS>BOND
1	1	8	1
2	1	34	1
3	2	9	1
4	2	35	1
5	3	11	1
6	3	14	1
7	4	5	1
8	4	9	1
9	4	10	1
10	4	15	1
11	5	6	1
12	5	16	1
13	5	17	1
14	6	7	1
15	6	18	1
16	6	19	1
17	7	8	1
18	7	20	1
19	7	21	1
20	8	12	1
21	8	13	1
22	9	11	1
23	9	22	1
24	10	23	1
25	10	24	1
26	10	25	1
27	11	26	1
28	11	27	1
29	12	28	1
30	12	32	1
31	12	33	1
32	13	29	1
33	13	30	1
34	13	31	1
35	14	36	1
36	14	37	1
37	14	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1