@<TRIPOS>MOLECULE
DB02170
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7073    -1.4251     0.4568	O.2	1	noname	-0.1422
2	N1     2.4460    -0.7367    -0.4460	N.2	1	noname	-0.0065
3	O2     3.1715    -0.7497    -1.4822	O.3	1	noname	-0.1422
4	C1     1.4048     0.0479    -0.3882	C.2	1	noname	0.0602
5	C2     0.2577    -0.3034     0.3782	C.2	1	noname	0.1265
6	C3     1.3745     1.2884    -1.0904	C.2	1	noname	0.0586
7	O3     0.2434    -1.4800     1.0615	O.3	1	noname	-0.1736
8	C4    -0.8964     0.5721     0.4349	C.2	1	noname	0.0654
9	C5     0.2374     2.1513    -1.0303	C.2	1	noname	-0.0025
10	C6    -0.8313    -1.8695     1.8127	C.2	1	noname	0.0485
11	C7    -2.0054     0.2007     1.2016	C.2	1	noname	0.1029
12	C8    -0.9159     1.8084    -0.2662	C.2	1	noname	0.0745
13	C9    -1.9812    -1.0048     1.9241	C.2	1	noname	0.0410
14	C10    -0.7860    -3.1158     2.4995	C.2	1	noname	-0.0246
15	O4    -3.0141     0.9377     1.2442	O.2	1	noname	-0.2862
16	O5    -1.9875     2.6277    -0.2105	O.3	1	noname	-0.2739
17	C11    -3.0654    -1.3319     2.7850	C.2	1	noname	0.0451
18	C12    -1.9157    -3.4845     3.2954	C.2	1	noname	-0.0254
19	O6    -4.0967    -0.4792     2.9637	O.3	1	noname	-0.2769
20	C13    -3.0257    -2.5939     3.4542	C.2	1	noname	-0.0274
21	H1     2.2387     1.5832    -1.6855	H	1	noname	0.0649
22	H2     0.2501     3.0925    -1.5799	H	1	noname	0.0651
23	H3     0.0849    -3.7664     2.4187	H	1	noname	0.0650
24	H4    -2.2118     2.7992     0.7071	H	1	noname	0.2182
25	H5    -1.9310    -4.4570     3.7874	H	1	noname	0.0624
26	H6    -4.2488    -0.3534     3.9032	H	1	noname	0.2182
27	H7    -3.8570    -2.8825     4.0974	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	7	10	1
10	8	11	1
11	8	12	2
12	9	12	1
13	10	13	2
14	10	14	1
15	11	15	2
16	11	13	1
17	12	16	1
18	13	17	1
19	14	18	2
20	17	19	1
21	17	20	2
22	18	20	1
23	6	21	1
24	9	22	1
25	14	23	1
26	16	24	1
27	18	25	1
28	19	26	1
29	20	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1