@<TRIPOS>MOLECULE
DB02459
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6203    -1.7263    -2.0298	O.2	1	noname	-0.2604
2	C1     0.1074    -1.4692    -1.0466	C.2	1	noname	0.0782
3	O2     0.4163    -2.4417    -0.1627	O.3	1	noname	-0.2195
4	C2     0.5987    -0.1819    -0.8632	C.2	1	noname	-0.0265
5	C3     1.4079     0.1041     0.2301	C.2	1	noname	-0.0053
6	C4     0.2807     0.8195    -1.7733	C.2	1	noname	-0.0053
7	C5     1.8991     1.3914     0.4135	C.2	1	noname	-0.0384
8	C6     0.7719     2.1068    -1.5900	C.2	1	noname	-0.0384
9	C7     1.5811     2.3928    -0.4966	C.2	1	noname	-0.0045
10	N1     2.0547     3.6338    -0.3199	N.3	1	noname	-0.0117
11	C8     1.2088     4.3251     0.4030	C.2	1	noname	-0.1217
12	N2     1.4631     5.5402     0.6938	N.2	1	noname	-0.2707
13	N3     0.1015     3.7681     0.8270	N.3	1	noname	-0.1313
14	H1     0.3101    -2.1075     0.7309	H	1	noname	0.2216
15	H2     1.6572    -0.6812     0.9438	H	1	noname	0.0631
16	H3    -0.3539     0.5953    -2.6307	H	1	noname	0.0631
17	H4     2.5337     1.6156     1.2709	H	1	noname	0.0639
18	H5     0.5225     2.8921    -2.3036	H	1	noname	0.0639
19	H6     2.9256     3.9966    -0.6803	H	1	noname	0.1367
20	H7     1.4857     5.6484     1.6977	H	1	noname	0.1898
21	H8    -0.7184     4.3347     0.9905	H	1	noname	0.1267
22	H9     0.0678     2.7720     0.9905	H	1	noname	0.1267
@<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	6	8	2
8	7	9	2
9	8	9	1
10	9	10	1
11	10	11	1
12	11	12	2
13	11	13	1
14	3	14	1
15	5	15	1
16	6	16	1
17	7	17	1
18	8	18	1
19	10	19	1
20	12	20	1
21	13	21	1
22	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1