@<TRIPOS>MOLECULE
DB00853
20 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9759    -1.1642     0.1139	O.2	1	noname	-0.2490
2	C1    -0.7259    -1.1576     0.1072	C.2	1	noname	0.1106
3	N1     0.0106    -2.3013     0.1809	N.3	1	noname	0.1192
4	N2    -0.0007    -0.0036     0.0255	N.3	1	noname	-0.1075
5	N3     1.3344    -2.2774     0.1487	N.2	1	noname	-0.1680
6	C2    -0.6525    -3.5405     0.2941	C.3	1	noname	0.0203
7	C3     1.3478    -0.0025     0.0064	C.2	1	noname	0.1237
8	C4    -0.4257     1.2786    -0.0038	C.2	1	noname	0.0552
9	N4     2.0459    -1.1728     0.0514	N.2	1	noname	-0.1134
10	C5     1.7872     1.3194    -0.0085	C.2	1	noname	0.1250
11	N5     0.6656     2.0721    -0.0092	N.2	1	noname	-0.1754
12	C6     3.1024     1.7691    -0.0203	C.2	1	noname	0.0591
13	O2     3.3435     2.9955    -0.0332	O.2	1	noname	-0.2821
14	N6     4.1118     0.8877    -0.0177	N.3	1	noname	-0.0751
15	H1    -0.7845    -3.7870     1.3477	H	1	noname	0.0421
16	H2    -1.6276    -3.4762    -0.1888	H	1	noname	0.0421
17	H3    -0.0582    -4.3161    -0.1888	H	1	noname	0.0421
18	H4    -1.4630     1.6130    -0.0200	H	1	noname	0.1021
19	H5     3.9169    -0.1033    -0.0168	H	1	noname	0.1275
20	H6     5.0675     1.2145    -0.0168	H	1	noname	0.1275
@<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	4	8	1
8	5	9	2
9	7	10	2
10	7	9	1
11	8	11	2
12	10	12	1
13	10	11	1
14	12	13	2
15	12	14	1
16	6	15	1
17	6	16	1
18	6	17	1
19	8	18	1
20	14	19	1
21	14	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1