@<TRIPOS>MOLECULE
DB01727
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4364    -2.2649     0.8617	O.2	1	noname	-0.2449
2	C1     1.5784    -1.2266     0.1803	C.2	1	noname	0.1503
3	O2     2.2537    -1.2730    -0.9878	O.3	1	noname	-0.2104
4	C2     1.0140     0.0361     0.6476	C.3	1	noname	0.1519
5	O3     2.0554     0.9867     0.8155	O.3	1	noname	-0.3817
6	C3     0.0088     0.5573    -0.3814	C.3	1	noname	0.0897
7	C4    -0.5556     1.8201     0.0859	C.2	1	noname	0.1382
8	C5     0.7172     0.7794    -1.7192	C.3	1	noname	0.0487
9	O4    -1.7873     1.9231     0.2727	O.2	1	noname	-0.2536
10	O5     0.2527     2.8765     0.3163	O.3	1	noname	-0.2171
11	C6    -0.2420     1.2767    -2.7012	C.2	1	noname	0.1352
12	O6    -0.0620     2.3886    -3.2432	O.2	1	noname	-0.2556
13	O7    -1.3234     0.5357    -3.0238	O.3	1	noname	-0.2187
14	H1     2.3982    -2.1885    -1.2377	H	1	noname	0.2214
15	H2     0.5694    -0.1185     1.6307	H	1	noname	0.0719
16	H3     2.2110     1.1288     1.7521	H	1	noname	0.2112
17	H4    -0.8218    -0.1392    -0.4960	H	1	noname	0.0447
18	H5     1.4438     1.5795    -1.5782	H	1	noname	0.0382
19	H6     1.0429    -0.1944    -2.0849	H	1	noname	0.0382
20	H7     0.3504     3.0043     1.2627	H	1	noname	0.2213
21	H8    -1.7581     0.2378    -2.2214	H	1	noname	0.2213
@<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	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	1
11	11	12	2
12	11	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	6	17	1
17	8	18	1
18	8	19	1
19	10	20	1
20	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1