@<TRIPOS>MOLECULE
DB02622
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8396    -1.2050    -0.7143	O.2	1	noname	-0.2581
2	C1    -0.6191    -1.2024    -0.4444	C.2	1	noname	0.0906
3	O2     0.0733    -2.3613    -0.4387	O.3	1	noname	-0.2180
4	C2     0.0251    -0.0064    -0.1501	C.2	1	noname	0.0194
5	C3     1.3823    -0.0036     0.1501	C.2	1	noname	0.0291
6	C4    -0.6879     1.1868    -0.1559	C.2	1	noname	-0.0004
7	N1     2.0696    -1.1539     0.1557	N.3	1	noname	-0.1057
8	C5     2.0265     1.1924     0.4444	C.2	1	noname	-0.0186
9	C6    -0.0437     2.3828     0.1384	C.2	1	noname	-0.0442
10	C7     3.3730    -1.1571    -0.1557	C.2	1	noname	0.1866
11	C8     1.3135     2.3856     0.4386	C.2	1	noname	-0.0299
12	O3     4.0142    -2.2301    -0.1504	O.2	1	noname	-0.2376
13	C9     4.0119     0.0328    -0.4844	C.2	1	noname	0.1747
14	O4     5.2277     0.0298    -0.7748	O.2	1	noname	-0.2256
15	O5     3.3195     1.1916    -0.4901	O.3	1	noname	-0.1950
16	H1     0.2356    -2.6327     0.4677	H	1	noname	0.2216
17	H2    -1.7522     1.1846    -0.3912	H	1	noname	0.0631
18	H3     1.6054    -2.0184     0.3945	H	1	noname	0.1376
19	H4     3.0908     1.1946     0.6797	H	1	noname	0.0639
20	H5    -0.6028     3.3185     0.1339	H	1	noname	0.0622
21	H6     1.8187     3.3235     0.6694	H	1	noname	0.0623
22	H7     3.1534     1.4696     0.4137	H	1	noname	0.2218
@<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	5	8	1
8	6	9	2
9	7	10	1
10	8	11	2
11	9	11	1
12	10	12	2
13	10	13	1
14	13	14	2
15	13	15	1
16	3	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	11	21	1
22	15	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1