@<TRIPOS>MOLECULE
DB04271
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7785    -1.3912     0.2096	O.2	1	noname	-0.2544
2	C1    -0.6313    -0.9736    -0.0588	C.2	1	noname	0.1032
3	O2     0.3587    -1.8493    -0.3337	O.3	1	noname	-0.2051
4	C2    -0.3750     0.3925    -0.0743	C.2	1	noname	0.0360
5	C3     0.3489    -3.1404     0.2572	C.3	1	noname	0.0539
6	C4     0.8409     1.0091    -0.3527	C.2	1	noname	0.0432
7	C5    -1.2808     1.4107     0.1848	C.2	1	noname	-0.0163
8	C6     1.5726    -3.9273    -0.2163	C.3	1	noname	-0.0409
9	N1     0.6383     2.3284    -0.2566	N.2	1	noname	-0.3309
10	C7     2.0972     0.3440    -0.6859	C.3	1	noname	0.0476
11	N2    -0.5978     2.5550     0.0563	N.3	1	noname	-0.0047
12	C8    -2.6923     1.2641     0.5279	C.3	1	noname	0.0264
13	H1     0.4507    -2.9704     1.3291	H	1	noname	0.0570
14	H2    -0.5413    -3.6327    -0.1343	H	1	noname	0.0570
15	H3     2.1307    -4.2862     0.6485	H	1	noname	0.0254
16	H4     1.2481    -4.7767    -0.8173	H	1	noname	0.0254
17	H5     2.2108    -3.2796    -0.8173	H	1	noname	0.0254
18	H6     2.6171     0.0688     0.2317	H	1	noname	0.0296
19	H7     1.8898    -0.5532    -1.2691	H	1	noname	0.0296
20	H8     2.7226     1.0200    -1.2691	H	1	noname	0.0296
21	H9    -0.9729     3.4844     0.1814	H	1	noname	0.1750
22	H10    -2.8033     1.2526     1.6122	H	1	noname	0.0293
23	H11    -3.2556     2.1004     0.1139	H	1	noname	0.0293
24	H12    -3.0718     0.3300     0.1139	H	1	noname	0.0293
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	7	12	1
12	9	11	1
13	5	13	1
14	5	14	1
15	8	15	1
16	8	16	1
17	8	17	1
18	10	18	1
19	10	19	1
20	10	20	1
21	11	21	1
22	12	22	1
23	12	23	1
24	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1