@<TRIPOS>MOLECULE
DB04085
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1630     1.2277     1.1474	O.2	1	noname	-0.2885
2	C1     0.3464     0.4529     0.1838	C.2	1	noname	0.0667
3	N1     1.0427    -0.8471     0.1822	N.3	1	noname	0.0881
4	C2    -0.0709     0.6208    -1.1765	C.2	1	noname	0.0645
5	C3     1.1732    -1.2867    -1.2185	C.2	1	noname	0.0667
6	C4     2.3001    -0.9000     0.9708	C.3	1	noname	0.1154
7	C5     0.3864    -0.3400    -1.9517	C.2	1	noname	0.0645
8	O2     1.8201    -2.2594    -1.6633	O.2	1	noname	-0.2885
9	O3     3.3549    -0.0165     0.5829	O.3	1	noname	-0.3487
10	C6     4.5096    -0.2876     1.4024	C.3	1	noname	0.1154
11	N2     5.5136     0.8051     1.3884	N.3	1	noname	0.0881
12	C7     6.7894     0.3235     1.9565	C.2	1	noname	0.0667
13	C8     5.8688     1.1799     0.0026	C.2	1	noname	0.0667
14	O4     6.9574    -0.1470     3.1024	O.2	1	noname	-0.2885
15	C9     7.8014     0.4947     0.9521	C.2	1	noname	0.0645
16	O5     5.0793     1.5917    -0.8747	O.2	1	noname	-0.2885
17	C10     7.2730     0.9876    -0.1536	C.2	1	noname	0.0645
18	H1    -0.6887     1.4181    -1.5898	H	1	noname	0.0676
19	H2     2.0346    -0.5761     1.9771	H	1	noname	0.0750
20	H3     2.7112    -1.8965     0.8097	H	1	noname	0.0750
21	H4     0.1538    -0.3500    -3.0166	H	1	noname	0.0676
22	H5     4.1318    -0.3470     2.4232	H	1	noname	0.0750
23	H6     4.9896    -1.1542     0.9477	H	1	noname	0.0750
24	H7     8.8662     0.2722     1.0220	H	1	noname	0.0676
25	H8     7.8829     1.1970    -1.0324	H	1	noname	0.0676
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	2
8	5	7	1
9	6	9	1
10	9	10	1
11	10	11	1
12	11	12	1
13	11	13	1
14	12	14	2
15	12	15	1
16	13	16	2
17	13	17	1
18	15	17	2
19	4	18	1
20	6	19	1
21	6	20	1
22	7	21	1
23	10	22	1
24	10	23	1
25	15	24	1
26	17	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1