@<TRIPOS>MOLECULE
DB02662
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -0.4429    -1.9390     0.2468	I	1	noname	-0.0442
2	C1     0.2501    -0.0178     0.0704	C.2	1	noname	-0.0083
3	C2     1.6170     0.2244     0.0004	C.2	1	noname	0.0235
4	C3    -0.6470     1.0428     0.0209	C.2	1	noname	-0.0058
5	C4     2.0869     1.5271    -0.1192	C.2	1	noname	0.0274
6	C5    -0.1772     2.3455    -0.0987	C.2	1	noname	-0.0107
7	C6     1.1898     2.5877    -0.1687	C.2	1	noname	0.0318
8	C7     3.4538     1.7692    -0.1892	C.2	1	noname	0.0920
9	N1     1.6427     3.8435    -0.2840	N.3	1	noname	-0.1054
10	O1     4.2550     1.0000     0.3844	O.2	1	noname	-0.2579
11	O2     3.9162     2.8351    -0.8768	O.3	1	noname	-0.2179
12	C8     0.9457     4.8584     0.2449	C.2	1	noname	0.1866
13	O3     1.3682     6.0299     0.1374	O.2	1	noname	-0.2376
14	C9    -0.2472     4.6084     0.9132	C.2	1	noname	0.1747
15	O4    -0.8975     5.5551     1.4067	O.2	1	noname	-0.2256
16	O5    -0.7036     3.3431     1.0294	O.3	1	noname	-0.1950
17	H1     2.3205    -0.6073     0.0392	H	1	noname	0.0642
18	H2    -1.7190     0.8530     0.0758	H	1	noname	0.0634
19	H3    -0.8807     3.1772    -0.1376	H	1	noname	0.0640
20	H4     2.5095     4.0252    -0.7696	H	1	noname	0.1376
21	H5     4.2092     3.5106    -0.2608	H	1	noname	0.2216
22	H6    -0.7853     3.1165     1.9587	H	1	noname	0.2218
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	2
11	8	11	1
12	9	12	1
13	12	13	2
14	12	14	1
15	14	15	2
16	14	16	1
17	3	17	1
18	4	18	1
19	6	19	1
20	9	20	1
21	11	21	1
22	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1