@<TRIPOS>MOLECULE
DB01619
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.5269     1.0365    -2.7365	N.3	1	noname	-0.3020
2	C1     2.7843     1.6844    -1.4080	C.3	1	noname	0.0206
3	C2     2.5395    -0.4540    -2.6684	C.3	1	noname	0.0023
4	C3     3.5278     1.4888    -3.7014	C.3	1	noname	-0.0130
5	C4     1.8885     1.1490    -0.3784	C.2	1	noname	-0.0383
6	C5     1.5155    -0.9983    -1.6354	C.3	1	noname	-0.0144
7	C6     1.2815    -0.0506    -0.5297	C.2	1	noname	-0.0343
8	C7     1.4164     1.9228     0.7590	C.3	1	noname	0.0323
9	C8     0.2790    -0.1340     0.4048	C.2	1	noname	-0.0350
10	C9     2.4798     2.2298     1.8415	C.2	1	noname	-0.0498
11	C10     0.2836     1.0622     1.1666	C.2	1	noname	-0.0378
12	C11    -0.7421    -1.1240     0.5628	C.2	1	noname	-0.0475
13	C12     2.7948     3.5475     2.1524	C.2	1	noname	-0.0539
14	C13     3.1197     1.1878     2.5025	C.2	1	noname	-0.0539
15	C14    -0.7788     1.3520     2.0761	C.2	1	noname	-0.0502
16	C15    -1.7988    -0.8432     1.4868	C.2	1	noname	-0.0577
17	C16     3.7496     3.8231     3.1243	C.2	1	noname	-0.0597
18	C17     4.0744     1.4634     3.4744	C.2	1	noname	-0.0597
19	C18    -1.8212     0.3762     2.2252	C.2	1	noname	-0.0594
20	C19     4.3894     2.7811     3.7853	C.2	1	noname	-0.0614
21	H1     3.7925     1.3993    -1.1074	H	1	noname	0.0478
22	H2     2.5247     2.7377    -1.5145	H	1	noname	0.0478
23	H3     2.2110    -0.7932    -3.6508	H	1	noname	0.0434
24	H4     3.5315    -0.7204    -2.3035	H	1	noname	0.0434
25	H5     4.3946     1.8805    -3.1691	H	1	noname	0.0394
26	H6     3.8340     0.6505    -4.3272	H	1	noname	0.0394
27	H7     3.1011     2.2726    -4.3272	H	1	noname	0.0394
28	H8     0.5570    -1.0831    -2.1475	H	1	noname	0.0329
29	H9     1.9643    -1.8759    -1.1701	H	1	noname	0.0329
30	H10     1.1096     2.9337     0.4905	H	1	noname	0.0449
31	H11    -0.7158    -2.0572     0.0002	H	1	noname	0.0629
32	H12     2.2931     4.3646     1.6341	H	1	noname	0.0625
33	H13     2.8727     0.1545     2.2587	H	1	noname	0.0625
34	H14    -0.7935     2.2862     2.6374	H	1	noname	0.0626
35	H15    -2.5989    -1.5694     1.6303	H	1	noname	0.0622
36	H16     3.9966     4.8564     3.3681	H	1	noname	0.0622
37	H17     4.5762     0.6462     3.9927	H	1	noname	0.0622
38	H18    -2.6459     0.5650     2.9125	H	1	noname	0.0622
39	H19     5.1381     2.9972     4.5474	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	2	5	1
5	3	6	1
6	5	7	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	1
11	8	11	1
12	9	12	1
13	9	11	2
14	10	13	2
15	10	14	1
16	11	15	1
17	12	16	2
18	13	17	1
19	14	18	2
20	15	19	2
21	16	19	1
22	17	20	2
23	18	20	1
24	2	21	1
25	2	22	1
26	3	23	1
27	3	24	1
28	4	25	1
29	4	26	1
30	4	27	1
31	6	28	1
32	6	29	1
33	8	30	1
34	12	31	1
35	13	32	1
36	14	33	1
37	15	34	1
38	16	35	1
39	17	36	1
40	18	37	1
41	19	38	1
42	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1