@<TRIPOS>MOLECULE
DB03729
18 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.2182    -1.7477     0.0957	O.3	1	noname	-0.2891
2	C1    -2.2941    -0.7636     0.1091	C.2	1	noname	-0.0247
3	C2    -0.9129    -1.1044     0.0178	C.2	1	noname	-0.0294
4	C3    -2.7260     0.6044     0.2151	C.2	1	noname	-0.0531
5	C4     0.0069    -0.0125     0.0060	C.2	1	noname	-0.0183
6	C5    -1.7971     1.6857     0.1931	C.2	1	noname	-0.0473
7	N1     1.3543    -0.0128    -0.0102	N.3	1	noname	-0.0067
8	C6    -0.4173     1.3304     0.0614	C.2	1	noname	-0.0401
9	C7     1.7464     1.2794    -0.0131	C.2	1	noname	-0.0927
10	N2     0.6790     2.1083     0.0054	N.3	1	noname	-0.0108
11	N3     2.9898     1.6751    -0.0312	N.2	1	noname	-0.2652
12	H1    -3.4434    -1.9875     0.9976	H	1	noname	0.2181
13	H2    -0.5791    -2.1404    -0.0396	H	1	noname	0.0667
14	H3    -3.7881     0.8282     0.3150	H	1	noname	0.0650
15	H4    -2.1226     2.7229     0.2723	H	1	noname	0.0640
16	H5     1.9546    -0.8250    -0.0186	H	1	noname	0.1368
17	H6     0.6972     3.1179    -0.0182	H	1	noname	0.1368
18	H7     3.3232     1.7811     0.9163	H	1	noname	0.1898
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	7	9	1
10	8	10	1
11	9	11	2
12	9	10	1
13	1	12	1
14	3	13	1
15	4	14	1
16	6	15	1
17	7	16	1
18	10	17	1
19	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1