@<TRIPOS>MOLECULE
DB06204
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0848    -1.1553     0.2458	O.3	1	noname	-0.2861
2	C1     0.4974     0.0187    -0.0787	C.2	1	noname	-0.0034
3	C2     1.8783     0.0946    -0.2180	C.2	1	noname	-0.0345
4	C3    -0.2841     1.1515    -0.2736	C.2	1	noname	-0.0396
5	C4     2.4777     1.3033    -0.5522	C.2	1	noname	-0.0469
6	C5     0.3153     2.3603    -0.6077	C.2	1	noname	-0.0537
7	C6     1.6962     2.4362    -0.7470	C.2	1	noname	-0.0749
8	C7     3.9282     1.3831    -0.6985	C.3	1	noname	0.0169
9	C8     4.5582     1.7367     0.6502	C.3	1	noname	-0.0246
10	C9     4.4677     0.0330    -1.1751	C.3	1	noname	-0.0489
11	C10     4.0187     3.0868     1.1267	C.3	1	noname	0.0008
12	C11     6.0782     1.8202     0.4968	C.3	1	noname	-0.0607
13	C12     3.8377    -0.3207    -2.5238	C.3	1	noname	-0.0648
14	N1     4.6207     3.4247     2.4154	N.3	1	noname	-0.3090
15	C13     4.1052     4.7148     2.8708	C.3	1	noname	-0.0136
16	C14     4.2857     2.3927     3.3954	C.3	1	noname	-0.0136
17	H1    -0.1261    -1.2387     1.2013	H	1	noname	0.2181
18	H2     2.4911    -0.7938    -0.0653	H	1	noname	0.0653
19	H3    -1.3670     1.0920    -0.1643	H	1	noname	0.0650
20	H4    -0.2975     3.2487    -0.7605	H	1	noname	0.0623
21	H5     2.1663     3.3841    -1.0091	H	1	noname	0.0625
22	H6     4.1313     2.1609    -1.4346	H	1	noname	0.0355
23	H7     4.3084     0.9673     1.3807	H	1	noname	0.0319
24	H8     5.5352     0.1652    -1.3514	H	1	noname	0.0270
25	H9     4.1217    -0.7140    -0.4606	H	1	noname	0.0270
26	H10     4.3655     3.8456     0.4252	H	1	noname	0.0433
27	H11     2.9520     2.9664     1.3160	H	1	noname	0.0433
28	H12     6.5420     1.8457     1.4829	H	1	noname	0.0234
29	H13     6.4365     0.9486    -0.0509	H	1	noname	0.0234
30	H14     6.3389     2.7259    -0.0509	H	1	noname	0.0234
31	H15     3.7886    -1.4045    -2.6288	H	1	noname	0.0231
32	H16     2.8315     0.0952    -2.5750	H	1	noname	0.0231
33	H17     4.4442     0.0952    -3.3283	H	1	noname	0.0231
34	H18     4.0958     4.7382     3.9605	H	1	noname	0.0394
35	H19     4.7441     5.5143     2.4957	H	1	noname	0.0394
36	H20     3.0912     4.8538     2.4957	H	1	noname	0.0394
37	H21     4.4151     2.7914     4.4015	H	1	noname	0.0394
38	H22     3.2496     2.0835     3.2576	H	1	noname	0.0394
39	H23     4.9427     1.5339     3.2576	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	8	9	1
10	8	10	1
11	9	11	1
12	9	12	1
13	10	13	1
14	11	14	1
15	14	15	1
16	14	16	1
17	1	17	1
18	3	18	1
19	4	19	1
20	6	20	1
21	7	21	1
22	8	22	1
23	9	23	1
24	10	24	1
25	10	25	1
26	11	26	1
27	11	27	1
28	12	28	1
29	12	29	1
30	12	30	1
31	13	31	1
32	13	32	1
33	13	33	1
34	15	34	1
35	15	35	1
36	15	36	1
37	16	37	1
38	16	38	1
39	16	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1