@<TRIPOS>MOLECULE
92043681
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.4083     3.2796     0.9245	O.2	1	noname	-0.2961
2	O2     0.0660     5.2100    -0.2812	O.3	1	noname	-0.2169
3	O3    -1.1923     4.6631     1.5048	O.2	1	noname	-0.2534
4	C1     0.4374    -1.2989    -0.2888	C.3	1	noname	-0.0533
5	C2     0.6207    -2.7815     0.0420	C.3	1	noname	-0.0533
6	C3    -0.8200    -0.7730     0.4064	C.3	1	noname	-0.0529
7	C4     1.8781    -3.3074    -0.6531	C.3	1	noname	-0.0533
8	C5    -1.0033     0.7095     0.0756	C.3	1	noname	-0.0464
9	C6     2.0615    -4.7899    -0.3224	C.3	1	noname	-0.0535
10	C7    -2.2607     1.2354     0.7708	C.3	1	noname	0.0066
11	C8     3.3189    -5.3159    -1.0175	C.3	1	noname	-0.0561
12	C9    -2.4357     2.6501     0.4552	C.2	1	noname	0.1396
13	C10     3.5022    -6.7984    -0.6868	C.3	1	noname	-0.0654
14	C11    -1.4745     3.3297    -0.4086	C.3	1	noname	0.0922
15	C12    -0.8604     4.4348     0.3216	C.2	1	noname	0.1385
16	H1     0.3343    -1.1773    -1.3670	H	1	noname	0.0266
17	H2     1.3057    -0.7391     0.0586	H	1	noname	0.0266
18	H3    -0.2476    -3.3413    -0.3054	H	1	noname	0.0266
19	H4     0.7239    -2.9031     1.1203	H	1	noname	0.0266
20	H5    -1.6883    -1.3329     0.0590	H	1	noname	0.0267
21	H6    -0.7169    -0.8947     1.4847	H	1	noname	0.0267
22	H7     1.7750    -3.1858    -1.7314	H	1	noname	0.0266
23	H8     2.7465    -2.7476    -0.3057	H	1	noname	0.0266
24	H9    -1.1065     0.8312    -1.0026	H	1	noname	0.0271
25	H10    -0.1350     1.2694     0.4230	H	1	noname	0.0271
26	H11     1.1931    -5.3498    -0.6698	H	1	noname	0.0266
27	H12     2.1646    -4.9116     0.7559	H	1	noname	0.0266
28	H13    -3.1291     0.6756     0.4234	H	1	noname	0.0346
29	H14    -2.1576     1.1138     1.8491	H	1	noname	0.0346
30	H15     3.2157    -5.1942    -2.0958	H	1	noname	0.0264
31	H16     4.1872    -4.7560    -0.6701	H	1	noname	0.0264
32	H17     4.3980    -7.1731    -1.1820	H	1	noname	0.0230
33	H18     2.6339    -7.3583    -1.0342	H	1	noname	0.0230
34	H19     3.6053    -6.9201     0.3915	H	1	noname	0.0230
35	H20    -1.9875     3.7165    -1.2892	H	1	noname	0.0453
36	H21    -0.7026     2.6251    -0.7181	H	1	noname	0.0453
37	H22     0.7744     5.6299     0.2500	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	12	2
2	2	15	1
3	2	37	1
4	3	15	2
5	4	5	1
6	4	6	1
7	4	16	1
8	4	17	1
9	5	7	1
10	5	18	1
11	5	19	1
12	6	8	1
13	6	20	1
14	6	21	1
15	7	9	1
16	7	22	1
17	7	23	1
18	8	10	1
19	8	24	1
20	8	25	1
21	9	11	1
22	9	26	1
23	9	27	1
24	10	12	1
25	10	28	1
26	10	29	1
27	11	13	1
28	11	30	1
29	11	31	1
30	12	14	1
31	13	32	1
32	13	33	1
33	13	34	1
34	14	15	1
35	14	35	1
36	14	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1