@<TRIPOS>MOLECULE
DB00885
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1143    -0.7695    -0.4018	O.2	1	noname	-0.2785
2	C1     1.4001     0.2355    -0.1956	C.2	1	noname	0.0984
3	N1     0.0552     0.0936    -0.0071	N.3	1	noname	0.0833
4	C2     1.9828     1.5262    -0.1566	C.2	1	noname	0.1237
5	C3    -0.7470     1.2357     0.1731	C.2	1	noname	-0.0007
6	C4    -0.4502    -1.1865    -0.0201	C.2	1	noname	-0.0536
7	C5     3.2825     1.7995    -0.6191	C.2	1	noname	0.1417
8	C6     1.1457     2.6382     0.1206	C.2	1	noname	0.0717
9	N2    -0.1958     2.4793     0.2597	N.2	1	noname	-0.2214
10	C7    -2.1609     1.1202     0.2668	C.2	1	noname	-0.0039
11	C8    -1.8565    -1.3421     0.1052	C.2	1	noname	-0.0453
12	N3     3.9294     2.9660    -0.4715	N.2	1	noname	-0.1002
13	N4     3.9555     1.0423    -1.5002	N.2	1	noname	-0.2110
14	C9    -2.6915    -0.1951     0.2237	C.2	1	noname	-0.0330
15	C10    -3.0210     2.2923     0.4002	C.3	1	noname	-0.0366
16	N5     4.8336     2.9814    -1.3900	N.2	1	noname	-0.1742
17	N6     4.8515     1.8342    -2.0065	N.3	1	noname	0.0678
18	H1     0.2282    -2.0333    -0.1242	H	1	noname	0.0761
19	H2     1.5456     3.6462     0.2300	H	1	noname	0.0849
20	H3    -2.2943    -2.3403     0.1104	H	1	noname	0.0633
21	H4    -3.7717    -0.3283     0.2833	H	1	noname	0.0626
22	H5    -3.1795     2.5083     1.4568	H	1	noname	0.0281
23	H6    -2.5453     3.1484    -0.0783	H	1	noname	0.0281
24	H7    -3.9804     2.0954    -0.0783	H	1	noname	0.0281
25	H8     5.4708     1.5934    -2.7672	H	1	noname	0.2008
@<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	2
8	5	9	2
9	5	10	1
10	6	11	2
11	7	12	1
12	7	13	2
13	8	9	1
14	10	14	2
15	10	15	1
16	11	14	1
17	12	16	2
18	13	17	1
19	16	17	1
20	6	18	1
21	8	19	1
22	11	20	1
23	14	21	1
24	15	22	1
25	15	23	1
26	15	24	1
27	17	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1