@<TRIPOS>MOLECULE
DB03886
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8840    -1.1530     0.3166	O.2	1	noname	-0.2748
2	C1     1.3047    -0.0531     0.1858	C.2	1	noname	0.0916
3	N1     2.0305     1.0984     0.0103	N.3	1	noname	0.0513
4	C2    -0.1074     0.0209     0.2165	C.2	1	noname	0.1167
5	C3     1.4635     2.3344    -0.1379	C.2	1	noname	-0.0737
6	N2    -0.9496    -1.0482     0.3919	N.2	1	noname	-0.1763
7	C4    -0.6822     1.3218     0.0599	C.2	1	noname	0.1246
8	N3     0.0983     2.4358    -0.1138	N.2	1	noname	-0.1798
9	N4     2.2278     3.4226    -0.3032	N.3	1	noname	-0.1230
10	C5    -2.3196    -0.9432     0.4383	C.2	1	noname	0.0586
11	N5    -2.0508     1.4035     0.1030	N.2	1	noname	-0.1836
12	C6    -2.8921     0.3402     0.2932	C.2	1	noname	0.0616
13	C7    -3.1578    -2.1228     0.6318	C.3	1	noname	0.1231
14	O2    -2.8317    -2.7374     1.8697	O.3	1	noname	-0.3839
15	C8    -2.9155    -3.1133    -0.5088	C.3	1	noname	0.0830
16	O3    -3.7308    -4.2606    -0.3207	O.3	1	noname	-0.3902
17	C9    -1.4433    -3.5299    -0.5184	C.3	1	noname	-0.0360
18	H1     3.0381     1.0326    -0.0108	H	1	noname	0.1400
19	H2     3.2316     3.3300    -0.3655	H	1	noname	0.1268
20	H3     1.8000     4.3354    -0.3655	H	1	noname	0.1268
21	H4    -3.9686     0.5079     0.3276	H	1	noname	0.0860
22	H5    -4.1989    -1.8079     0.7030	H	1	noname	0.0696
23	H6    -2.8580    -3.6918     1.7698	H	1	noname	0.2111
24	H7    -3.2173    -2.6959    -1.4694	H	1	noname	0.0628
25	H8    -3.8451    -4.4214     0.6188	H	1	noname	0.2105
26	H9    -1.0875    -3.6305     0.5069	H	1	noname	0.0258
27	H10    -1.3391    -4.4843    -1.0345	H	1	noname	0.0258
28	H11    -0.8545    -2.7715    -1.0345	H	1	noname	0.0258
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	7	11	2
11	7	8	1
12	10	12	2
13	10	13	1
14	11	12	1
15	13	14	1
16	13	15	1
17	15	16	1
18	15	17	1
19	3	18	1
20	9	19	1
21	9	20	1
22	12	21	1
23	13	22	1
24	14	23	1
25	15	24	1
26	16	25	1
27	17	26	1
28	17	27	1
29	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1