@<TRIPOS>MOLECULE
DB06944
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6727     3.0370     1.0009	O.2	1	noname	-0.2735
2	C1     3.6643     2.3434     0.6879	C.2	1	noname	0.1355
3	N1     4.9733     2.7705     0.9933	N.3	1	noname	-0.1275
4	C2     3.4923     1.0084    -0.0366	C.3	1	noname	0.0468
5	C3     5.2721     4.1012     1.1262	C.2	1	noname	-0.0347
6	C4     2.0416     0.8051    -0.0719	C.2	1	noname	-0.0459
7	N2     6.5152     4.5020     1.4209	N.3	1	noname	-0.0175
8	C5     4.4577     5.2447     1.0201	C.2	1	noname	0.0217
9	C6     1.4359     0.1579     1.0437	C.2	1	noname	-0.0403
10	C7     1.2971     1.2699    -1.1960	C.2	1	noname	-0.0496
11	N3     6.5366     5.7970     1.4268	N.2	1	noname	-0.3226
12	C8     5.3214     6.3157     1.1720	C.2	1	noname	0.0246
13	C9     0.0442    -0.0356     1.0000	C.2	1	noname	-0.0390
14	C10    -0.1032     1.0835    -1.2593	C.2	1	noname	-0.0454
15	C11     4.9804     7.7320     1.0746	C.3	1	noname	0.0555
16	C12    -0.7098     0.4166    -0.1583	C.2	1	noname	-0.0403
17	C13    -0.5836    -0.6998     2.0920	C.2	1	noname	-0.0473
18	C14     5.7943     8.3764    -0.0494	C.3	1	noname	-0.0442
19	C15     6.2113     8.5771     1.4089	C.3	1	noname	-0.0442
20	C16    -2.1085     0.1860    -0.2213	C.2	1	noname	-0.0476
21	C17    -1.9864    -0.9170     2.0035	C.2	1	noname	-0.0569
22	C18    -2.7357    -0.4849     0.8688	C.2	1	noname	-0.0570
23	H1     5.7200     2.1025     1.1208	H	1	noname	0.1384
24	H2     3.8272     1.1275    -1.0670	H	1	noname	0.0411
25	H3     3.9142     0.2193     0.5859	H	1	noname	0.0411
26	H4     7.3159     3.9161     1.6102	H	1	noname	0.1766
27	H5     3.3813     5.2911     0.8547	H	1	noname	0.0673
28	H6     2.0178    -0.1779     1.9020	H	1	noname	0.0632
29	H7     1.8051     1.7743    -2.0179	H	1	noname	0.0625
30	H8    -0.6843     1.4354    -2.1117	H	1	noname	0.0629
31	H9     3.9341     7.6999     1.3782	H	1	noname	0.0369
32	H10    -0.0134    -1.0287     2.9607	H	1	noname	0.0629
33	H11     6.4184     7.6968    -0.6296	H	1	noname	0.0273
34	H12     5.3333     9.2385    -0.5314	H	1	noname	0.0273
35	H13     6.0076     9.5630     1.8267	H	1	noname	0.0273
36	H14     7.0928     8.0213     1.7285	H	1	noname	0.0273
37	H15    -2.6862     0.5157    -1.0848	H	1	noname	0.0629
38	H16    -2.4974    -1.4248     2.8216	H	1	noname	0.0622
39	H17    -3.8091    -0.6712     0.8341	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	8	2
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	1
12	9	13	1
13	10	14	2
14	11	12	2
15	12	15	1
16	13	16	1
17	13	17	2
18	14	16	1
19	15	18	1
20	15	19	1
21	16	20	2
22	17	21	1
23	18	19	1
24	20	22	1
25	21	22	2
26	3	23	1
27	4	24	1
28	4	25	1
29	7	26	1
30	8	27	1
31	9	28	1
32	10	29	1
33	14	30	1
34	15	31	1
35	17	32	1
36	18	33	1
37	18	34	1
38	19	35	1
39	19	36	1
40	20	37	1
41	21	38	1
42	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1