@<TRIPOS>MOLECULE
DB04130
19 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.2626    -1.8029     0.4205	O.3	1	noname	-0.2756
2	C1    -2.1921    -1.0034     0.6138	C.2	1	noname	0.0147
3	C2    -4.2951    -1.0655    -0.2172	C.3	1	noname	0.0423
4	C3    -1.1910    -0.9237    -0.3979	C.2	1	noname	-0.0015
5	C4    -2.0882    -0.2518     1.8360	C.2	1	noname	-0.0104
6	C5    -0.1034    -0.0353    -0.1406	C.2	1	noname	-0.0505
7	C6    -1.0009     0.6386     2.0761	C.2	1	noname	-0.0010
8	N1     1.0076     0.2086    -0.8630	N.3	1	noname	-0.0466
9	C7    -0.0243     0.7380     1.0351	C.2	1	noname	-0.0007
10	C8     1.7218     1.1318    -0.1839	C.2	1	noname	-0.0470
11	N2     1.0944     1.4817     0.9610	N.2	1	noname	-0.2359
12	H1    -4.9348    -0.6086     0.5378	H	1	noname	0.0535
13	H2    -3.8542    -0.2867    -0.8395	H	1	noname	0.0535
14	H3    -4.8887    -1.7352    -0.8395	H	1	noname	0.0535
15	H4    -1.2536    -1.5084    -1.3156	H	1	noname	0.0670
16	H5    -2.8556    -0.3601     2.6024	H	1	noname	0.0650
17	H6    -0.9210     1.2096     3.0011	H	1	noname	0.0646
18	H7     1.2569    -0.2182    -1.7438	H	1	noname	0.1537
19	H8     2.6767     1.5398    -0.5153	H	1	noname	0.1013
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	5	7	2
7	6	8	1
8	6	9	2
9	7	9	1
10	8	10	1
11	9	11	1
12	10	11	2
13	3	12	1
14	3	13	1
15	3	14	1
16	4	15	1
17	5	16	1
18	7	17	1
19	8	18	1
20	10	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1