@<TRIPOS>MOLECULE
DB04622
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.1472    -3.9522    -1.1022	O.2	1	noname	-0.2980
2	C1    -3.2311    -3.1440    -1.3669	C.2	1	noname	0.0357
3	N1    -2.7179    -2.3725    -0.3989	N.3	1	noname	-0.0812
4	C2    -2.7205    -3.0404    -2.7308	C.3	1	noname	0.0095
5	C3    -1.6846    -1.4608    -0.6975	C.3	1	noname	0.0080
6	C4    -1.2831    -0.7106     0.5741	C.3	1	noname	0.0000
7	C5    -0.2132     0.2335     0.2649	C.2	1	noname	-0.0678
8	N2     0.9924    -0.0765    -0.2315	N.3	1	noname	-0.0485
9	C6    -0.2655     1.6113     0.4334	C.2	1	noname	0.0118
10	C7     1.6829     1.0662    -0.3736	C.2	1	noname	-0.0518
11	N3     0.9193     2.0939     0.0304	N.2	1	noname	-0.2419
12	H1    -3.0994    -2.4755     0.5305	H	1	noname	0.1309
13	H2    -2.5678    -4.0397    -3.1384	H	1	noname	0.0324
14	H3    -3.4397    -2.5021    -3.3481	H	1	noname	0.0324
15	H4    -1.7727    -2.5021    -2.7240	H	1	noname	0.0324
16	H5    -0.8400    -2.0744    -1.0110	H	1	noname	0.0436
17	H6    -2.1241    -0.7435    -1.3907	H	1	noname	0.0436
18	H7    -2.1361    -0.1063     0.8830	H	1	noname	0.0343
19	H8    -0.8520    -1.4372     1.2627	H	1	noname	0.0343
20	H9     1.3213    -1.0043    -0.4578	H	1	noname	0.1534
21	H10    -1.0925     2.2097     0.8155	H	1	noname	0.0856
22	H11     2.7006     1.1467    -0.7558	H	1	noname	0.1013
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	7	9	2
9	8	10	1
10	9	11	1
11	10	11	2
12	3	12	1
13	4	13	1
14	4	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	6	18	1
19	6	19	1
20	8	20	1
21	9	21	1
22	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1