@<TRIPOS>MOLECULE
DB04291
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0494    -1.9976     1.9665	O.2	1	noname	-0.2480
2	C1    -1.2996    -1.2163     1.0233	C.2	1	noname	0.1460
3	O2    -2.3238    -0.3426     1.1241	O.3	1	noname	-0.2127
4	C2    -0.4841    -1.2486    -0.1873	C.3	1	noname	0.1169
5	N1    -1.3309    -1.5628    -1.3370	N.3	1	noname	-0.3157
6	C3     0.1431     0.0547    -0.3865	C.2	1	noname	-0.0555
7	C4     1.3905     0.3176     0.1674	C.2	1	noname	-0.0406
8	C5    -0.5073     1.0326    -1.1301	C.2	1	noname	-0.0406
9	C6     1.9876     1.5584    -0.0223	C.2	1	noname	-0.0292
10	C7     0.0898     2.2734    -1.3197	C.2	1	noname	-0.0292
11	C8     1.3373     2.5363    -0.7658	C.2	1	noname	-0.0013
12	O3     1.9172     3.7414    -0.9500	O.3	1	noname	-0.2861
13	H1    -2.5152    -0.1794     2.0506	H	1	noname	0.2213
14	H2     0.2882    -2.0108    -0.0841	H	1	noname	0.0623
15	H3    -2.3276    -1.6713    -1.2154	H	1	noname	0.1195
16	H4    -0.9190    -1.6713    -2.2528	H	1	noname	0.1195
17	H5     1.9005    -0.4492     0.7505	H	1	noname	0.0627
18	H6    -1.4855     0.8264    -1.5644	H	1	noname	0.0627
19	H7     2.9659     1.7645     0.4121	H	1	noname	0.0650
20	H8    -0.4202     3.0402    -1.9028	H	1	noname	0.0650
21	H9     2.1083     4.1383    -0.0971	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	11	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	5	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1