@<TRIPOS>MOLECULE
DB01354
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.5639    -0.2339     1.0740	O.2	1	noname	-0.2799
2	C1    -0.6663    -0.0847     0.9104	C.2	1	noname	0.0384
3	N1    -1.4261    -0.6068    -0.2583	N.3	1	noname	0.0848
4	N2    -1.5566     0.6373     1.8593	N.3	1	noname	0.0848
5	C2    -2.5250    -1.5029     0.1739	C.2	1	noname	0.0948
6	C3    -2.6321    -0.2495     2.3423	C.2	1	noname	0.0948
7	O2    -2.6533    -2.6804    -0.2255	O.2	1	noname	-0.2817
8	C4    -3.5098    -0.8185     1.1850	C.3	1	noname	0.1386
9	O3    -2.8198    -0.5161     3.5490	O.2	1	noname	-0.2817
10	C5    -4.4657     0.1538     0.6505	C.2	1	noname	-0.0621
11	C6    -4.4837    -1.8124     1.8211	C.3	1	noname	-0.0298
12	C7    -5.6335     0.1442     1.3294	C.2	1	noname	-0.0721
13	C8    -4.2224     0.9699    -0.5623	C.3	1	noname	-0.0305
14	C9    -3.6970    -2.8815     2.5820	C.3	1	noname	-0.0636
15	C10    -6.8892     0.7913     0.9873	C.3	1	noname	-0.0347
16	C11    -5.1632     0.6447    -1.7533	C.3	1	noname	-0.0495
17	C12    -7.3723     0.1605    -0.3402	C.3	1	noname	-0.0498
18	C13    -6.6917     0.8736    -1.5320	C.3	1	noname	-0.0527
19	H1    -1.2221    -0.3817    -1.2216	H	1	noname	0.1414
20	H2    -1.4457     1.6016     2.1385	H	1	noname	0.1414
21	H3    -5.0594    -1.2582     2.5624	H	1	noname	0.0283
22	H4    -4.9943    -2.3202     1.0028	H	1	noname	0.0283
23	H5    -5.5546    -0.4440     2.2437	H	1	noname	0.0575
24	H6    -4.4457     1.9928    -0.2593	H	1	noname	0.0313
25	H7    -3.2143     0.7033    -0.8799	H	1	noname	0.0313
26	H8    -3.8130    -2.7238     3.6542	H	1	noname	0.0231
27	H9    -4.0755    -3.8687     2.3169	H	1	noname	0.0231
28	H10    -2.6419    -2.8137     2.3169	H	1	noname	0.0231
29	H11    -7.5961     0.5219     1.7721	H	1	noname	0.0309
30	H12    -6.6531     1.8394     0.8029	H	1	noname	0.0309
31	H13    -4.8785     1.3459    -2.5377	H	1	noname	0.0270
32	H14    -5.0540    -0.4277    -1.9149	H	1	noname	0.0270
33	H15    -7.0166    -0.8698    -0.3462	H	1	noname	0.0270
34	H16    -8.4393     0.3691    -0.4173	H	1	noname	0.0270
35	H17    -6.7903     1.9363    -1.3108	H	1	noname	0.0267
36	H18    -7.1722     0.4540    -2.4158	H	1	noname	0.0267
@<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	2
7	5	8	1
8	6	9	2
9	6	8	1
10	8	10	1
11	8	11	1
12	10	12	2
13	10	13	1
14	11	14	1
15	12	15	1
16	13	16	1
17	15	17	1
18	16	18	1
19	17	18	1
20	3	19	1
21	4	20	1
22	11	21	1
23	11	22	1
24	12	23	1
25	13	24	1
26	13	25	1
27	14	26	1
28	14	27	1
29	14	28	1
30	15	29	1
31	15	30	1
32	16	31	1
33	16	32	1
34	17	33	1
35	17	34	1
36	18	35	1
37	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1