@<TRIPOS>MOLECULE
DB00859
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.6362    -2.2157    -0.9186	S.3	1	noname	-0.1708
2	C1     0.6424    -0.9539    -1.0330	C.3	1	noname	0.0321
3	C2     0.4179     0.0996     0.0536	C.3	1	noname	0.1053
4	C3     2.0156    -1.6004    -0.8406	C.3	1	noname	-0.0489
5	C4     0.5803    -0.2883    -2.4092	C.3	1	noname	-0.0489
6	N1    -0.8944     0.7173    -0.1302	N.3	1	noname	-0.3183
7	C5     1.4549     1.1231    -0.0391	C.2	1	noname	0.1444
8	O1     2.2173     1.3300     0.9296	O.2	1	noname	-0.2492
9	O2     1.5904     1.8460    -1.1712	O.3	1	noname	-0.2136
10	H1    -0.8924    -2.4686     0.3514	H	1	noname	0.1028
11	H2     0.4551    -0.3318     1.0540	H	1	noname	0.0586
12	H3     2.2249    -1.6989     0.2246	H	1	noname	0.0245
13	H4     2.0211    -2.5866    -1.3047	H	1	noname	0.0245
14	H5     2.7793    -0.9762    -1.3047	H	1	noname	0.0245
15	H6     0.5454    -1.0555    -3.1827	H	1	noname	0.0245
16	H7    -0.3135     0.3325    -2.4726	H	1	noname	0.0245
17	H8     1.4647     0.3325    -2.5528	H	1	noname	0.0245
18	H9    -0.9751     1.7221    -0.1937	H	1	noname	0.1192
19	H10    -1.7202     0.1393    -0.1937	H	1	noname	0.1192
20	H11     1.6802     1.2529    -1.9208	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	7	8	2
8	7	9	1
9	1	10	1
10	3	11	1
11	4	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	9	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1