@<TRIPOS>MOLECULE
DB04777
19 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.5542     3.7064     1.2981	O.2	1	noname	-0.1448
2	N1     2.5994     2.6239     1.7263	N.2	1	noname	-0.0156
3	O2     3.1943     2.4008     2.8202	O.3	1	noname	-0.1448
4	C1     2.0363     1.6415     1.0776	C.2	1	noname	0.0354
5	C2     1.9435     1.6869    -0.3086	C.2	1	noname	0.0298
6	C3     1.5295     0.5497     1.7727	C.2	1	noname	0.0298
7	C4     1.3437     0.6405    -0.9996	C.2	1	noname	-0.0203
8	C5     0.9298    -0.4967     1.0817	C.2	1	noname	-0.0203
9	C6     0.8369    -0.4513    -0.3045	C.2	1	noname	-0.0077
10	C7     0.2070    -1.5504    -1.0303	C.3	1	noname	0.1061
11	O3    -1.1829    -1.2929    -1.1660	O.3	1	noname	-0.3679
12	C8    -0.4102    -1.0188    -2.3255	C.3	1	noname	0.0781
13	H1     2.3409     2.5431    -0.8537	H	1	noname	0.0647
14	H2     1.6023     0.5141     2.8597	H	1	noname	0.0647
15	H3     1.2709     0.6761    -2.0866	H	1	noname	0.0627
16	H4     0.5323    -1.3528     1.6268	H	1	noname	0.0627
17	H5     0.8219    -2.3935    -0.7154	H	1	noname	0.0679
18	H6    -0.2427     0.0360    -2.5433	H	1	noname	0.0597
19	H7    -0.5122    -1.7343    -3.1414	H	1	noname	0.0597
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	10	9	1
11	10	11	1
12	10	12	1
13	11	12	1
14	5	13	1
15	6	14	1
16	7	15	1
17	8	16	1
18	10	17	1
19	12	18	1
20	12	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1