@<TRIPOS>MOLECULE
DB02837
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.7589    -1.6231    -0.5405	S	1	noname	0.0213
2	O1    -0.5655    -2.3835     0.8424	O.2	1	noname	-0.1286
3	O2    -1.0099    -2.6838    -1.6981	O.2	1	noname	-0.1286
4	O3     0.6305    -0.7265    -0.8895	O.3	1	noname	-0.1012
5	O4    -2.0872    -0.5839    -0.4310	O.3	1	noname	-0.1167
6	C1     0.3691     0.6585    -0.6736	C.3	1	noname	0.1401
7	C2    -0.7950     1.1412    -1.5976	C.3	1	noname	0.1156
8	C3     1.7148     1.3999    -0.9131	C.3	1	noname	0.1146
9	O5    -0.9916     0.1997    -2.6423	O.3	1	noname	-0.3872
10	C4    -0.6765     2.5681    -2.2017	C.3	1	noname	0.1332
11	O6     1.8254     1.8941    -2.2699	O.3	1	noname	-0.3414
12	C5     2.8789     0.4516    -0.6191	C.3	1	noname	0.0723
13	O7    -1.0387     3.5289    -1.2210	O.3	1	noname	-0.3849
14	C6     0.7871     2.8393    -2.6817	C.3	1	noname	0.1838
15	O8     4.1078     1.1287    -0.8378	O.3	1	noname	-0.3934
16	O9     0.8042     2.9752    -4.0951	O.3	1	noname	-0.3656
17	H1    -2.2925    -0.4233     0.4929	H	1	noname	0.2408
18	H2     0.0378     0.7787     0.3579	H	1	noname	0.0680
19	H3    -1.7016     1.1391    -0.9925	H	1	noname	0.0658
20	H4     1.7680     2.2965    -0.2955	H	1	noname	0.0658
21	H5    -0.9249    -0.6900    -2.2879	H	1	noname	0.2106
22	H6    -1.3947     2.7104    -3.0092	H	1	noname	0.0682
23	H7     2.8621     0.2160     0.4450	H	1	noname	0.0591
24	H8     2.8544    -0.3516    -1.3556	H	1	noname	0.0591
25	H9    -0.8998     3.1605    -0.3454	H	1	noname	0.2108
26	H10     1.1380     3.7686    -2.2330	H	1	noname	0.0949
27	H11     4.5068     1.3485     0.0072	H	1	noname	0.2101
28	H12     0.8091     2.1049    -4.5002	H	1	noname	0.2134
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	6	4	1
6	6	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	12	1
12	10	13	1
13	10	14	1
14	11	14	1
15	12	15	1
16	14	16	1
17	5	17	1
18	6	18	1
19	7	19	1
20	8	20	1
21	9	21	1
22	10	22	1
23	12	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	15	27	1
28	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1