@<TRIPOS>MOLECULE
DB03814
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.5288    -1.4351     3.9112	S	1	noname	-0.1414
2	O1    -0.5007    -1.2165     5.1031	O.2	1	noname	-0.3203
3	O2     1.9318    -0.7953     4.2987	O.2	1	noname	-0.3203
4	O3     0.7226    -3.0903     3.6306	O.3	1	noname	-0.3203
5	C1    -0.1007    -0.6437     2.4220	C.3	1	noname	0.0743
6	C2     0.7337    -1.0856     1.2181	C.3	1	noname	-0.0022
7	N1     0.2224    -0.4428     0.0086	N.4	1	noname	0.0088
8	C3     0.3113     1.0543     0.1593	C.3	1	noname	0.0131
9	C4     0.8200    -1.1084    -1.2052	C.3	1	noname	0.0131
10	C5     0.5209     1.7949    -1.1943	C.3	1	noname	0.0950
11	C6     1.9193    -0.2459    -1.8964	C.3	1	noname	0.0950
12	O4     1.5317     1.1636    -2.0557	O.3	1	noname	-0.3680
13	H1    -1.0985    -1.0237     2.2028	H	1	noname	0.0433
14	H2     0.0726     0.4308     2.4807	H	1	noname	0.0433
15	H3     1.7436    -0.7003     1.3588	H	1	noname	0.0945
16	H4     0.5725    -2.1548     1.0809	H	1	noname	0.0945
17	H5    -0.7680    -0.5990    -0.1125	H	1	noname	0.2581
18	H6    -0.6631     1.3650     0.5364	H	1	noname	0.0964
19	H7     1.2076     1.2321     0.7534	H	1	noname	0.0964
20	H8     1.3163    -2.0030    -0.8291	H	1	noname	0.0964
21	H9     0.0004    -1.1987    -1.9181	H	1	noname	0.0964
22	H10    -0.4122     1.7109    -1.7513	H	1	noname	0.0635
23	H11     0.9289     2.7781    -0.9597	H	1	noname	0.0635
24	H12     2.7789    -0.2259    -1.2264	H	1	noname	0.0635
25	H13     2.0295    -0.6226    -2.9133	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	10	12	1
12	11	12	1
13	5	13	1
14	5	14	1
15	6	15	1
16	6	16	1
17	7	17	1
18	8	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	10	22	1
23	10	23	1
24	11	24	1
25	11	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1