@<TRIPOS>MOLECULE
DB00993
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.5449    -2.9561    -0.0578	S.3	1	noname	-0.0300
2	C1    -1.6026    -1.5739    -0.3161	C.2	1	noname	0.0538
3	C2     1.1133    -2.4151    -0.1997	C.2	1	noname	0.0575
4	N1    -1.3917    -0.4252     0.3996	N.2	1	noname	-0.2024
5	C3    -2.7205    -1.6542    -1.1783	C.2	1	noname	0.0860
6	N2     2.1563    -3.2074     0.0649	N.3	1	noname	0.0277
7	C4     1.6117    -1.2084    -0.6831	C.2	1	noname	0.1211
8	C5    -2.2427     0.6409     0.3658	C.2	1	noname	0.0405
9	N3    -3.2069    -2.5889    -1.9973	N.3	1	noname	-0.0148
10	C6    -3.5775    -0.5566    -1.1786	C.2	1	noname	0.0941
11	C7     3.2656    -2.5406    -0.2392	C.2	1	noname	-0.0182
12	C8     2.0918    -4.5197     0.5766	C.3	1	noname	-0.0484
13	N4     0.9160    -0.1684    -1.0538	N.2	1	noname	0.0258
14	N5     2.9393    -1.3247    -0.6927	N.2	1	noname	-0.1736
15	N6    -3.3448     0.5516    -0.4287	N.2	1	noname	-0.1811
16	C9    -4.3489    -2.0755    -2.5030	C.2	1	noname	-0.0325
17	N7    -4.5845    -0.8410    -2.0107	N.2	1	noname	-0.1926
18	O1     1.4582     0.7867    -1.4424	O.2	1	noname	-0.1310
19	O2    -0.3471    -0.1974    -0.9911	O.3	1	noname	-0.1310
20	H1    -2.0481     1.5367     0.9555	H	1	noname	0.1062
21	H2    -2.7982    -3.4916    -2.1926	H	1	noname	0.1539
22	H3     4.2789    -2.9282    -0.1338	H	1	noname	0.1016
23	H4     2.0935    -4.4854     1.6661	H	1	noname	0.0436
24	H5     1.1771    -5.0004     0.2297	H	1	noname	0.0436
25	H6     2.9549    -5.0878     0.2297	H	1	noname	0.0436
26	H7    -4.9951    -2.5895    -3.2145	H	1	noname	0.1014
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	8	1
8	5	9	1
9	5	10	2
10	6	11	1
11	6	12	1
12	7	13	1
13	7	14	1
14	8	15	2
15	9	16	1
16	10	17	1
17	10	15	1
18	11	14	2
19	13	18	2
20	13	19	1
21	16	17	2
22	8	20	1
23	9	21	1
24	11	22	1
25	12	23	1
26	12	24	1
27	12	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1