@<TRIPOS>MOLECULE
DB01825
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0408    -1.0709     0.0000	O.2	1	noname	-0.2591
2	C1     1.3816    -0.0088     0.0000	C.2	1	noname	0.1132
3	N1     2.0471     1.1926    -0.0000	N.2	1	noname	-0.1695
4	C2    -0.0429    -0.0744     0.0000	C.2	1	noname	-0.0038
5	C3     1.3898     2.4072    -0.0000	C.2	1	noname	-0.0572
6	C4    -0.6985     1.1921     0.0000	C.2	1	noname	0.0015
7	C5    -0.6873    -1.1905     0.5207	C.2	1	noname	-0.0152
8	N2     0.0093     2.3692    -0.0000	N.3	1	noname	0.0607
9	N3     2.0598     3.5677    -0.0000	N.3	1	noname	-0.1350
10	C6    -2.0874     1.2368     0.0302	C.2	1	noname	-0.0358
11	C7    -1.9707    -1.0722     1.0414	C.2	1	noname	-0.0516
12	C8    -2.7508     0.0760     0.5861	C.2	1	noname	-0.0394
13	C9    -2.8341     2.3876    -0.4697	C.3	1	noname	0.0016
14	H1    -0.1863    -2.1585     0.5207	H	1	noname	0.0631
15	H2    -0.5043     3.2388    -0.0000	H	1	noname	0.0662
16	H3     3.0698     3.5677    -0.0000	H	1	noname	0.1257
17	H4     1.5548     4.4424    -0.0000	H	1	noname	0.1257
18	H5    -2.3350    -1.8178     1.7481	H	1	noname	0.0622
19	H6    -3.8381     0.0664     0.6618	H	1	noname	0.0625
20	H7    -3.2115     2.9691     0.3715	H	1	noname	0.0280
21	H8    -2.1776     3.0108    -1.0769	H	1	noname	0.0280
22	H9    -3.6708     2.0419    -1.0769	H	1	noname	0.0280
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	2
6	4	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	6	8	1
11	7	11	2
12	10	12	2
13	10	13	1
14	11	12	1
15	7	14	1
16	8	15	1
17	9	16	1
18	9	17	1
19	11	18	1
20	12	19	1
21	13	20	1
22	13	21	1
23	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1