@<TRIPOS>MOLECULE
DB02402
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2414    -1.7701    -1.2049	O.3	1	noname	-0.2005
2	C1     3.3002    -1.1453    -2.4001	C.2	1	noname	0.0298
3	C2     4.1002    -1.1805    -0.3462	C.2	1	noname	-0.0081
4	C3     2.4599    -0.0465    -2.7011	C.2	1	noname	-0.0609
5	C4     4.2089    -1.5625    -3.4114	C.2	1	noname	-0.0134
6	C5     4.2160    -1.6538     0.9556	C.2	1	noname	-0.0133
7	C6     4.8687    -0.1002    -0.7639	C.2	1	noname	-0.0133
8	C7     1.5401     0.4102    -1.7372	C.2	1	noname	0.0521
9	C8     2.5124     0.6309    -3.9755	C.2	1	noname	0.0696
10	C9     4.2764    -0.9018    -4.6856	C.2	1	noname	-0.0203
11	C10     5.1003    -1.0468     1.8397	C.2	1	noname	-0.0187
12	C11     5.7530     0.5068     0.1202	C.2	1	noname	-0.0187
13	N1     0.7440     1.4681    -2.0515	N.2	1	noname	-0.2688
14	N2     1.4511    -0.1830    -0.5390	N.3	1	noname	-0.1094
15	N3     1.6802     1.6867    -4.2172	N.2	1	noname	-0.2766
16	C12     3.4269     0.2086    -4.9890	C.2	1	noname	-0.0102
17	C13     5.8688     0.0335     1.4220	C.2	1	noname	-0.0066
18	C14     0.8031     2.1020    -3.2631	C.2	1	noname	0.0840
19	O2     6.7277     0.6231     2.2807	O.3	1	noname	-0.2790
20	N4    -0.0085     3.1390    -3.5117	N.3	1	noname	-0.0787
21	C15     6.0617     1.6689     2.9728	C.3	1	noname	0.0423
22	H1     4.8675    -2.4063    -3.2056	H	1	noname	0.0650
23	H2     3.6134    -2.5009     1.2832	H	1	noname	0.0651
24	H3     4.7779     0.2709    -1.7847	H	1	noname	0.0651
25	H4     4.9858    -1.2496    -5.4365	H	1	noname	0.0624
26	H5     5.1911    -1.4179     2.8606	H	1	noname	0.0651
27	H6     6.3557     1.3539    -0.2073	H	1	noname	0.0651
28	H7     2.2899    -0.4066    -0.0226	H	1	noname	0.1258
29	H8     0.5453    -0.4066    -0.1522	H	1	noname	0.1258
30	H9     3.4746     0.7130    -5.9541	H	1	noname	0.0645
31	H10     0.3745     4.0688    -3.6053	H	1	noname	0.1273
32	H11    -1.0031     2.9907    -3.6053	H	1	noname	0.1273
33	H12     6.1604     1.5140     4.0473	H	1	noname	0.0535
34	H13     6.5076     2.6258     2.7013	H	1	noname	0.0535
35	H14     5.0061     1.6698     2.7013	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	2
8	4	9	1
9	5	10	1
10	6	11	1
11	7	12	2
12	8	13	1
13	8	14	1
14	9	15	2
15	9	16	1
16	10	16	2
17	11	17	2
18	12	17	1
19	13	18	2
20	15	18	1
21	17	19	1
22	18	20	1
23	19	21	1
24	5	22	1
25	6	23	1
26	7	24	1
27	10	25	1
28	11	26	1
29	12	27	1
30	14	28	1
31	14	29	1
32	16	30	1
33	20	31	1
34	20	32	1
35	21	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1