@<TRIPOS>MOLECULE
DB04545
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6407    -0.1743    -1.0803	O.3	1	noname	-0.3898
2	C1    -0.0983    -0.0083     0.2157	C.3	1	noname	0.0874
3	C2     1.4624    -0.1770     0.1636	C.3	1	noname	0.0928
4	C3    -0.6866     1.3598     0.6924	C.3	1	noname	0.0231
5	O2     1.8094    -1.4957     0.5598	O.3	1	noname	-0.3890
6	C4     2.1856     0.8455     1.0796	C.3	1	noname	0.0239
7	C5     0.3172     2.5199     0.4739	C.3	1	noname	0.0029
8	C6    -1.0475     1.2704     2.1766	C.3	1	noname	0.0498
9	N1     1.7080     2.2671     0.9799	N.3	1	noname	-0.3135
10	O3    -2.0134     0.2473     2.3681	O.3	1	noname	-0.3958
11	H1    -0.7224    -1.1107    -1.2755	H	1	noname	0.2105
12	H2    -0.4288    -0.8023     0.8854	H	1	noname	0.0632
13	H3     1.8297    -0.0815    -0.8582	H	1	noname	0.0641
14	H4    -1.5860     1.5771     0.1162	H	1	noname	0.0367
15	H5     1.8234    -1.5487     1.5182	H	1	noname	0.2106
16	H6     1.9574     0.5472     2.1029	H	1	noname	0.0455
17	H7     3.2205     0.8758     0.7388	H	1	noname	0.0455
18	H8     0.4266     2.6268    -0.6053	H	1	noname	0.0432
19	H9    -0.0504     3.3552     1.0699	H	1	noname	0.0432
20	H10    -0.1623     0.9399     2.7200	H	1	noname	0.0567
21	H11    -1.5460     2.1976     2.4593	H	1	noname	0.0567
22	H12     2.3078     3.0346     1.2467	H	1	noname	0.1223
23	H13    -2.1473     0.1055     3.3081	H	1	noname	0.2100
@<TRIPOS>BOND
1	2	1	1
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	6	9	1
9	7	9	1
10	8	10	1
11	1	11	1
12	2	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	6	16	1
17	6	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1