@<TRIPOS>MOLECULE
DB02471
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.1474     1.2386     2.6083	O.3	1	noname	-0.3823
2	C1     0.1407     1.0942     1.6172	C.3	1	noname	0.1416
3	C2     0.4483     1.9845     0.4638	C.2	1	noname	0.0683
4	C3     0.1342    -0.3753     1.0927	C.3	1	noname	0.1149
5	N1     1.3321     2.9874     0.3742	N.2	1	noname	-0.1026
6	N2    -0.0439     1.7535    -0.7695	N.3	1	noname	0.0753
7	O2    -0.4236    -1.2283     2.0814	O.3	1	noname	-0.3870
8	C4    -0.6203    -0.5892    -0.2705	C.3	1	noname	0.1058
9	N3     1.3370     3.3076    -0.8840	N.2	1	noname	-0.0793
10	N4     0.5243     2.5723    -1.5809	N.2	1	noname	-0.1590
11	C5    -0.9367     0.6828    -1.1241	C.3	1	noname	0.0357
12	O3     0.0926    -1.5265    -1.0641	O.3	1	noname	-0.3881
13	C6    -2.3815     1.1192    -0.8727	C.3	1	noname	0.0665
14	O4    -2.6751     2.2618    -1.6631	O.3	1	noname	-0.3941
15	H1     0.7489     1.1814     3.4798	H	1	noname	0.2111
16	H2    -0.7851     1.4019     2.1034	H	1	noname	0.0712
17	H3     1.1696    -0.6945     0.9738	H	1	noname	0.0660
18	H4    -0.2044    -0.8932     2.9539	H	1	noname	0.2107
19	H5    -1.5807    -1.0471    -0.0336	H	1	noname	0.0650
20	H6    -0.7653     0.5117    -2.1868	H	1	noname	0.0580
21	H7     0.5595    -2.1403    -0.4924	H	1	noname	0.2106
22	H8    -3.0406     0.3333    -1.2415	H	1	noname	0.0584
23	H9    -2.4580     1.4538     0.1618	H	1	noname	0.0584
24	H10    -2.8667     3.0072    -1.0893	H	1	noname	0.2101
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	6	10	1
10	6	11	1
11	8	12	1
12	8	11	1
13	9	10	2
14	11	13	1
15	13	14	1
16	1	15	1
17	2	16	1
18	4	17	1
19	7	18	1
20	8	19	1
21	11	20	1
22	12	21	1
23	13	22	1
24	13	23	1
25	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1