@<TRIPOS>MOLECULE
DB03968
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0448    -1.0992     1.2804	O.2	1	noname	-0.2951
2	C1     0.1202    -0.2709     0.3472	C.2	1	noname	0.0427
3	N1     0.9369    -0.3438    -0.8627	N.3	1	noname	-0.0684
4	C2    -0.6194     1.0576     0.2007	C.3	1	noname	0.0232
5	C3     1.5218     0.9965    -0.9193	C.3	1	noname	0.0227
6	C4     1.1154    -1.4268    -1.7477	C.3	1	noname	-0.0052
7	C5     0.4227     1.9599    -0.4577	C.3	1	noname	-0.0265
8	C6     2.7077     1.0766     0.0442	C.3	1	noname	-0.0464
9	C7     2.1032     1.3232    -2.2963	C.3	1	noname	-0.0464
10	H1    -1.4381     0.9142    -0.5044	H	1	noname	0.0361
11	H2    -0.8216     1.4452     1.1992	H	1	noname	0.0361
12	H3     1.2663    -2.3423    -1.1758	H	1	noname	0.0399
13	H4     0.2308    -1.5324    -2.3758	H	1	noname	0.0399
14	H5     1.9871    -1.2429    -2.3758	H	1	noname	0.0399
15	H6    -0.0312     2.4006    -1.3453	H	1	noname	0.0290
16	H7     0.8433     2.6027     0.3156	H	1	noname	0.0290
17	H8     2.3436     1.0520     1.0713	H	1	noname	0.0249
18	H9     3.3721     0.2294    -0.1262	H	1	noname	0.0249
19	H10     3.2522     2.0053    -0.1262	H	1	noname	0.0249
20	H11     2.3266     0.3968    -2.8254	H	1	noname	0.0249
21	H12     1.3787     1.9028    -2.8684	H	1	noname	0.0249
22	H13     3.0185     1.9028    -2.1760	H	1	noname	0.0249
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	5	7	1
10	4	10	1
11	4	11	1
12	6	12	1
13	6	13	1
14	6	14	1
15	7	15	1
16	7	16	1
17	8	17	1
18	8	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1