@<TRIPOS>MOLECULE
DB03747
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4493     1.5486     0.5839	S.3	1	noname	-0.0673
2	C1     1.7733    -0.0468     0.4898	C.2	1	noname	0.0330
3	C2     1.9283     2.1896    -1.0626	C.3	1	noname	0.1340
4	N1     1.2032    -0.1368    -0.6460	N.2	1	noname	-0.2485
5	C3     1.8428    -1.0636     1.4928	C.3	1	noname	-0.0164
6	O1     3.0764     2.4193    -1.8660	O.3	1	noname	-0.3563
7	C4     1.1893     0.9228    -1.5670	C.3	1	noname	0.1153
8	C5     3.9452     1.2994    -1.7813	C.3	1	noname	0.1107
9	C6     1.8120     0.4604    -2.8859	C.3	1	noname	0.1083
10	C7     3.3289     0.1858    -2.6687	C.3	1	noname	0.1106
11	C8     5.3234     1.6807    -2.3253	C.3	1	noname	0.0722
12	O2     1.6502     1.4743    -3.8668	O.3	1	noname	-0.3878
13	O3     3.4958    -1.0728    -2.0328	O.3	1	noname	-0.3874
14	O4     5.8551     2.7513    -1.5588	O.3	1	noname	-0.3934
15	H1     1.4079     3.1284    -1.2520	H	1	noname	0.0750
16	H2     1.8113    -0.6028     2.4801	H	1	noname	0.0301
17	H3     0.9971    -1.7422     1.3815	H	1	noname	0.0301
18	H4     2.7729    -1.6209     1.3815	H	1	noname	0.0301
19	H5     0.1207     1.1210    -1.6498	H	1	noname	0.0616
20	H6     4.0194     1.0298    -0.7277	H	1	noname	0.0656
21	H7     1.2843    -0.4054    -3.2858	H	1	noname	0.0652
22	H8     3.8608     0.0920    -3.6154	H	1	noname	0.0656
23	H9     5.9970     0.8404    -2.1575	H	1	noname	0.0591
24	H10     5.1908     2.0806    -3.3306	H	1	noname	0.0591
25	H11     1.5152     2.3202    -3.4335	H	1	noname	0.2106
26	H12     3.4802    -0.9546    -1.0802	H	1	noname	0.2106
27	H13     5.7577     2.5551    -0.6242	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	1
2	3	1	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	1
7	7	4	1
8	6	8	1
9	7	9	1
10	8	10	1
11	8	11	1
12	9	12	1
13	9	10	1
14	10	13	1
15	11	14	1
16	3	15	1
17	5	16	1
18	5	17	1
19	5	18	1
20	7	19	1
21	8	20	1
22	9	21	1
23	10	22	1
24	11	23	1
25	11	24	1
26	12	25	1
27	13	26	1
28	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1