@<TRIPOS>MOLECULE
121225720
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5949     2.1397    -1.0530	O.3	1	noname	-0.2631
2	O2     1.5340    -0.0292    -0.5583	O.3	1	noname	-0.3880
3	O3     0.1517    -1.4931     1.6960	O.3	1	noname	-0.2798
4	O4    -4.5683    -1.1211     0.8344	O.3	1	noname	-0.2826
5	O5    -2.2906     6.7882    -3.1817	O.3	1	noname	-0.2759
6	O6     0.0997     7.0822    -4.4886	O.3	1	noname	-0.2762
7	C1    -0.5231     3.0045    -0.6077	C.3	1	noname	0.0921
8	C2     0.8346     2.2702    -0.4444	C.3	1	noname	0.0087
9	C3     0.7054     0.8619     0.1743	C.3	1	noname	0.0870
10	C4    -0.6787     0.3066     0.2962	C.2	1	noname	0.0011
11	C5    -1.7854     0.9731    -0.3257	C.2	1	noname	0.0297
12	C6    -0.3544     4.1087    -1.6586	C.2	1	noname	-0.0458
13	C7    -0.8875    -0.8570     1.1146	C.2	1	noname	0.0282
14	C8    -3.1169     0.4876    -0.1846	C.2	1	noname	-0.0117
15	C9    -1.4142     4.9603    -1.9481	C.2	1	noname	-0.0121
16	C10     0.8581     4.2579    -2.3216	C.2	1	noname	-0.0522
17	C11    -2.2173    -1.3169     1.2931	C.2	1	noname	-0.0128
18	C12    -3.3158    -0.6532     0.6479	C.2	1	noname	0.0171
19	C13    -1.2613     5.9611    -2.9006	C.2	1	noname	0.0254
20	C14     1.0110     5.2586    -3.2741	C.2	1	noname	-0.0210
21	C15    -0.0488     6.1103    -3.5636	C.2	1	noname	0.0226
22	H1    -0.7993     3.4720     0.3432	H	1	noname	0.0661
23	H2     1.3272     2.1973    -1.4139	H	1	noname	0.0327
24	H3     1.5116     2.8765     0.1574	H	1	noname	0.0327
25	H4     1.0784     0.9207     1.1880	H	1	noname	0.0654
26	H5    -3.8982     0.9384    -0.6607	H	1	noname	0.0677
27	H6    -2.3040     4.8509    -1.4616	H	1	noname	0.0654
28	H7     1.6358     3.6329    -2.1092	H	1	noname	0.0627
29	H8     2.4645     0.2743    -0.5083	H	1	noname	0.2109
30	H9    -2.3955    -2.1276     1.8860	H	1	noname	0.0677
31	H10     1.9008     5.3681    -3.7606	H	1	noname	0.0651
32	H11    -0.1803    -2.2577     2.2113	H	1	noname	0.2182
33	H12    -5.2021    -0.5667     0.3331	H	1	noname	0.2181
34	H13    -3.0636     6.5471    -2.6298	H	1	noname	0.2183
35	H14     1.0076     7.0478    -4.8558	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	7	1
2	1	11	1
3	9	2	1
4	2	29	1
5	3	13	1
6	3	32	1
7	4	18	1
8	4	33	1
9	5	19	1
10	5	34	1
11	6	21	1
12	6	35	1
13	7	8	1
14	7	12	1
15	7	22	1
16	8	9	1
17	8	23	1
18	8	24	1
19	9	10	1
20	9	25	1
21	10	11	1
22	10	13	2
23	11	14	2
24	12	15	2
25	12	16	1
26	13	17	1
27	14	18	1
28	14	26	1
29	15	19	1
30	15	27	1
31	16	20	2
32	16	28	1
33	17	18	2
34	17	30	1
35	19	21	2
36	20	21	1
37	20	31	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1