@<TRIPOS>MOLECULE
DB00832
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.0451    -0.1474    -0.7797	O.2	1	noname	-0.2855
2	C1    -2.3749    -0.8141     0.0382	C.2	1	noname	0.0870
3	N1    -2.8377    -1.4530     1.2689	N.3	1	noname	0.0818
4	C2    -0.8689    -1.1508    -0.0208	C.3	1	noname	0.0666
5	C3    -2.1879    -2.7537     1.2187	C.2	1	noname	0.0840
6	C4    -3.6995    -0.9369     2.2585	C.3	1	noname	0.0021
7	C5    -0.2365    -0.6968    -1.2916	C.2	1	noname	-0.0496
8	C6    -0.8986    -2.6313     0.3906	C.3	1	noname	0.0370
9	O2    -2.6088    -3.7989     1.7599	O.2	1	noname	-0.2878
10	C7     0.1177     0.6953    -1.3381	C.2	1	noname	-0.0538
11	C8    -0.0350    -1.5323    -2.4577	C.2	1	noname	-0.0538
12	C9     0.5429     1.2868    -2.5715	C.2	1	noname	-0.0597
13	C10     0.3958    -0.9489    -3.6879	C.2	1	noname	-0.0597
14	C11     0.6404     0.4584    -3.7310	C.2	1	noname	-0.0614
15	H1    -0.1606    -0.6100     0.6068	H	1	noname	0.0452
16	H2    -3.3028    -1.1745     3.2456	H	1	noname	0.0404
17	H3    -3.7737     0.1448     2.1474	H	1	noname	0.0404
18	H4    -4.6882    -1.3823     2.1474	H	1	noname	0.0404
19	H5    -1.0205    -3.2292    -0.5125	H	1	noname	0.0372
20	H6    -0.0535    -2.8130     1.0546	H	1	noname	0.0372
21	H7     0.0636     1.3041    -0.4355	H	1	noname	0.0625
22	H8    -0.2087    -2.6073    -2.4092	H	1	noname	0.0625
23	H9     0.7878     2.3475    -2.6268	H	1	noname	0.0622
24	H10     0.5351    -1.5653    -4.5760	H	1	noname	0.0622
25	H11     0.9110     0.9163    -4.6825	H	1	noname	0.0622
@<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	1
7	4	8	1
8	5	9	2
9	5	8	1
10	7	10	2
11	7	11	1
12	10	12	1
13	11	13	2
14	12	14	2
15	13	14	1
16	4	15	1
17	6	16	1
18	6	17	1
19	6	18	1
20	8	19	1
21	8	20	1
22	10	21	1
23	11	22	1
24	12	23	1
25	13	24	1
26	14	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1