@<TRIPOS>MOLECULE
DB03505
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0935    -1.1559     0.0000	O.3	1	noname	-0.2515
2	C1     1.3816    -0.0088     0.0000	C.2	1	noname	0.0454
3	N1     2.0471     1.1926    -0.0000	N.2	1	noname	-0.2281
4	C2    -0.0429    -0.0744     0.0000	C.2	1	noname	-0.0346
5	C3     1.3898     2.4072    -0.0000	C.2	1	noname	0.0629
6	C4    -0.6985     1.1921     0.0000	C.2	1	noname	0.0356
7	C5    -0.6873    -1.1905     0.5207	C.2	1	noname	-0.0116
8	N2     0.0093     2.3692    -0.0000	N.2	1	noname	-0.2533
9	N3     2.0598     3.5677    -0.0000	N.3	1	noname	-0.0832
10	C6    -2.0874     1.2368     0.0302	C.2	1	noname	-0.0026
11	C7    -1.9707    -1.0722     1.0414	C.2	1	noname	-0.0175
12	C8    -2.7508     0.0760     0.5861	C.2	1	noname	-0.0232
13	N4    -2.4650    -1.9621     1.9128	N.3	1	noname	-0.1544
14	H1     2.2623    -1.4278     0.9051	H	1	noname	0.2199
15	H2    -0.1863    -2.1585     0.5207	H	1	noname	0.0647
16	H3     3.0698     3.5677    -0.0000	H	1	noname	0.1273
17	H4     1.5548     4.4424    -0.0000	H	1	noname	0.1273
18	H5    -2.6139     2.1117    -0.3513	H	1	noname	0.0646
19	H6    -3.8381     0.0664     0.6618	H	1	noname	0.0639
20	H7    -3.4159    -1.8727     2.2412	H	1	noname	0.1242
21	H8    -1.8866    -2.7222     2.2412	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	6	10	2
10	6	8	1
11	7	11	1
12	10	12	1
13	11	13	1
14	11	12	2
15	1	14	1
16	7	15	1
17	9	16	1
18	9	17	1
19	10	18	1
20	12	19	1
21	13	20	1
22	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1