@<TRIPOS>MOLECULE
DB04446
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.9685     0.2101    -0.4066	S.3	1	noname	-0.1807
2	C1     0.6294    -0.5338     0.4552	C.2	1	noname	0.0214
3	C2     2.1763     1.6634     0.5745	C.2	1	noname	0.0636
4	C3     0.3904     0.3618     1.5389	C.2	1	noname	-0.0052
5	C4    -0.1085    -1.7335     0.2416	C.2	1	noname	-0.0218
6	C5     3.0607     2.6813     0.3969	C.2	1	noname	0.0246
7	C6     1.2073     1.5158     1.5842	C.2	1	noname	0.0184
8	C7    -0.6359     0.0656     2.4814	C.2	1	noname	-0.0394
9	C8    -1.1236    -2.0187     1.2048	C.2	1	noname	-0.0505
10	N1     3.4549     2.9858    -0.7768	N.2	1	noname	0.1704
11	N2     3.5075     3.3488     1.4317	N.3	1	noname	-0.0952
12	C9    -1.3893    -1.1344     2.2995	C.2	1	noname	-0.0548
13	H1     0.0908    -2.3910    -0.6046	H	1	noname	0.0637
14	H2     1.0941     2.2640     2.3687	H	1	noname	0.0647
15	H3    -0.8386     0.7365     3.3162	H	1	noname	0.0629
16	H4    -1.7090    -2.9324     1.1020	H	1	noname	0.0623
17	H5     2.7819     3.1065    -1.5201	H	1	noname	0.2870
18	H6     4.4402     3.1065    -0.9631	H	1	noname	0.2870
19	H7     4.4827     3.6062     1.4840	H	1	noname	0.1297
20	H8     2.8767     3.6062     2.1774	H	1	noname	0.1297
21	H9    -2.1805    -1.3794     3.0082	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	8	1
8	4	7	1
9	5	9	2
10	6	10	2
11	6	11	1
12	8	12	2
13	9	12	1
14	5	13	1
15	7	14	1
16	8	15	1
17	9	16	1
18	10	17	1
19	10	18	1
20	11	19	1
21	11	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1