@<TRIPOS>MOLECULE
57823863
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.6275     0.0108    -0.0933	O.3	1	noname	-0.3308
2	O2    -2.0579    -0.6790    -2.2628	O.3	1	noname	-0.3056
3	O3    -2.5748     1.1876    -0.9920	O.3	1	noname	-0.3058
4	O4    -4.1956    -0.0991    -2.8391	O.3	1	noname	-0.3610
5	O5    -5.6813    -1.3469     2.0815	O.2	1	noname	-0.2888
6	O6     0.2372     1.6811    -0.6654	O.2	1	noname	-0.2786
7	C1    -3.3981    -0.7021    -1.7932	C.3	1	noname	0.2270
8	C2    -3.2453     0.0308    -0.4737	C.3	1	noname	0.2245
9	C3    -4.1329    -1.9696    -1.3375	C.3	1	noname	0.0431
10	C4    -5.0965    -1.3751    -0.2208	C.3	1	noname	0.1321
11	C5    -1.5561     0.6441    -1.8852	C.3	1	noname	0.2309
12	C6    -2.4004    -0.5083     0.7542	C.3	1	noname	-0.0047
13	C7    -6.5645    -1.3678    -0.7391	C.3	1	noname	-0.0283
14	C8    -5.1276    -1.9871     1.1624	C.2	1	noname	0.1535
15	C9    -1.4623     1.4984    -3.1738	C.3	1	noname	-0.0025
16	C10    -0.1761     0.6590    -1.2688	C.2	1	noname	0.1732
17	C11    -4.5987    -3.2929     1.5856	C.3	1	noname	-0.0027
18	C12     0.7625    -0.4685    -1.2754	C.3	1	noname	0.0000
19	H1    -4.6568    -2.4472    -2.1867	H	1	noname	0.0358
20	H2    -3.3885    -2.6759    -0.9757	H	1	noname	0.0358
21	H3    -1.3132    -0.4767     0.6614	H	1	noname	0.0287
22	H4    -2.6199    -1.5526     0.9735	H	1	noname	0.0287
23	H5    -2.6025     0.0524     1.6324	H	1	noname	0.0287
24	H6    -6.9336    -2.4006    -0.8080	H	1	noname	0.0264
25	H7    -7.2364    -0.8066    -0.0730	H	1	noname	0.0264
26	H8    -6.6405    -0.9113    -1.7322	H	1	noname	0.0264
27	H9    -4.1579    -0.7426    -3.5957	H	1	noname	0.2138
28	H10    -1.1962     2.5345    -2.9288	H	1	noname	0.0290
29	H11    -2.4176     1.5124    -3.7021	H	1	noname	0.0290
30	H12    -0.7043     1.0786    -3.8545	H	1	noname	0.0290
31	H13    -3.7427    -3.6403     0.9903	H	1	noname	0.0311
32	H14    -5.3942    -4.0370     1.5467	H	1	noname	0.0311
33	H15    -4.3424    -3.2287     2.6431	H	1	noname	0.0311
34	H16     0.3007    -1.3285    -0.7905	H	1	noname	0.0312
35	H17     1.0160    -0.7242    -2.3042	H	1	noname	0.0312
36	H18     1.6682    -0.1904    -0.7364	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	8	1
2	1	10	1
3	2	7	1
4	2	11	1
5	3	8	1
6	3	11	1
7	7	4	1
8	4	27	1
9	5	14	2
10	6	16	2
11	7	8	1
12	7	9	1
13	8	12	1
14	9	10	1
15	9	19	1
16	9	20	1
17	10	13	1
18	10	14	1
19	11	15	1
20	11	16	1
21	12	21	1
22	12	22	1
23	12	23	1
24	13	24	1
25	13	25	1
26	13	26	1
27	14	17	1
28	15	28	1
29	15	29	1
30	15	30	1
31	16	18	1
32	17	31	1
33	17	32	1
34	17	33	1
35	18	34	1
36	18	35	1
37	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1