@<TRIPOS>MOLECULE
DB02495
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3440    -1.6587     1.1914	O.2	1	noname	-0.2752
2	C1    -0.9013    -0.9280     0.3441	C.2	1	noname	0.0887
3	N1    -2.1456    -0.4004     0.5606	N.3	1	noname	0.0547
4	C2    -0.2748    -0.6074    -0.8847	C.2	1	noname	0.0938
5	C3    -2.8010     0.4251    -0.3273	C.2	1	noname	-0.0505
6	N2     0.9370    -0.8957    -1.3771	N.2	1	noname	-0.1998
7	C4    -0.9554     0.1981    -1.7991	C.2	1	noname	0.0325
8	N3    -2.1971     0.7158    -1.5249	N.2	1	noname	-0.2006
9	N4    -4.0038     0.9337    -0.0272	N.3	1	noname	-0.0049
10	C5     0.9858    -0.3223    -2.5998	C.2	1	noname	-0.0270
11	N5    -0.1669     0.3249    -2.8845	N.3	1	noname	0.0137
12	C6    -3.8486     2.1091     0.5974	C.2	1	noname	-0.0309
13	C7    -0.4818     0.9998    -4.0818	C.3	1	noname	-0.0385
14	C8    -4.9635     2.8300     1.0088	C.2	1	noname	-0.0573
15	C9    -2.5727     2.6073     0.8337	C.2	1	noname	-0.0573
16	C10    -0.0455     2.4622    -3.9728	C.3	1	noname	-0.0347
17	C11    -4.8025     4.0492     1.6567	C.2	1	noname	-0.0627
18	C12    -2.4117     3.8265     1.4816	C.2	1	noname	-0.0627
19	C13    -0.3872     3.1946    -5.2720	C.3	1	noname	-0.0284
20	C14    -3.5266     4.5475     1.8931	C.2	1	noname	-0.0824
21	C15     0.0491     4.6570    -5.1630	C.3	1	noname	0.0432
22	O2    -0.2681     5.3367    -6.3687	O.3	1	noname	-0.3962
23	H1    -2.6079    -0.6341     1.4276	H	1	noname	0.1401
24	H2    -4.8903     0.4985    -0.2390	H	1	noname	0.1367
25	H3     1.8440    -0.3751    -3.2697	H	1	noname	0.1016
26	H4     0.1241     0.5209    -4.8509	H	1	noname	0.0473
27	H5    -1.5694     0.9739    -4.1501	H	1	noname	0.0473
28	H6    -5.9640     2.4393     0.8235	H	1	noname	0.0639
29	H7    -1.6984     2.0420     0.5111	H	1	noname	0.0639
30	H8    -0.6522     2.9140    -3.1880	H	1	noname	0.0283
31	H9     1.0413     2.4609    -3.8889	H	1	noname	0.0283
32	H10    -5.6768     4.6146     1.9794	H	1	noname	0.0623
33	H11    -1.4111     4.2172     1.6670	H	1	noname	0.0623
34	H12     0.2195     2.7428    -6.0568	H	1	noname	0.0290
35	H13    -1.4740     3.1959    -5.3559	H	1	noname	0.0290
36	H14    -3.4003     5.5035     2.4011	H	1	noname	0.0622
37	H15    -0.5569     5.1336    -4.3925	H	1	noname	0.0563
38	H16     1.1366     4.6806    -5.0933	H	1	noname	0.0563
39	H17    -0.4498     4.6952    -7.0594	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
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	7	11	1
11	7	8	1
12	9	12	1
13	10	11	1
14	11	13	1
15	12	14	2
16	12	15	1
17	13	16	1
18	14	17	1
19	15	18	2
20	16	19	1
21	17	20	2
22	18	20	1
23	19	21	1
24	21	22	1
25	3	23	1
26	9	24	1
27	10	25	1
28	13	26	1
29	13	27	1
30	14	28	1
31	15	29	1
32	16	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	19	34	1
37	19	35	1
38	20	36	1
39	21	37	1
40	21	38	1
41	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1