@<TRIPOS>MOLECULE
DB01703
35 45 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Fe1     0.1315     0.1009    -1.0037	Fe	1	noname	0.2099
2	C1     1.2640    -1.3470    -1.9859	C.3	1	noname	-0.0312
3	C2     0.0516    -0.9956    -2.7676	C.3	1	noname	-0.0412
4	C3     2.0916    -0.1718    -1.6159	C.3	1	noname	-0.0412
5	C4     0.2055     0.4653    -3.0453	C.3	1	noname	-0.0438
6	C5     1.4507     0.9575    -2.3586	C.3	1	noname	-0.0438
7	C6     0.1563     0.4170     1.0451	C.3	1	noname	-0.0441
8	C7    -1.2235     0.8580     0.3550	C.3	1	noname	-0.0441
9	C8    -0.2373     1.5485     0.4419	C.3	1	noname	-0.0441
10	C9    -1.7959    -0.2988    -0.3011	C.3	1	noname	-0.0441
11	C10    -0.9138     0.1291     0.7703	C.3	1	noname	-0.0441
12	C11     1.2755    -2.6213    -1.1575	C.3	1	noname	-0.0385
13	C12     2.2054    -3.6612    -1.8276	C.3	1	noname	0.0141
14	N1     2.0335    -5.0698    -1.3640	N.3	1	noname	0.0775
15	C13     3.1395    -5.9162    -1.8698	C.2	1	noname	0.0609
16	C14     2.0474    -5.2651     0.1128	C.2	1	noname	0.0609
17	O1     3.4561    -6.1251    -3.0609	O.2	1	noname	-0.2902
18	C15     3.7666    -6.4426    -0.6937	C.2	1	noname	0.0627
19	O2     1.2202    -4.7952     0.9236	O.2	1	noname	-0.2902
20	C16     3.1691    -6.0816     0.4395	C.2	1	noname	0.0627
21	H1    -0.4015    -1.6869    -3.4782	H	1	noname	0.0238
22	H2     3.1679    -0.2431    -1.4589	H	1	noname	0.0238
23	H3    -0.1166     0.8874    -3.9973	H	1	noname	0.0235
24	H4     2.0602     1.7428    -2.8056	H	1	noname	0.0235
25	H5     0.6466     0.0744     1.9564	H	1	noname	0.0235
26	H6    -1.9046     1.5997     0.7722	H	1	noname	0.0235
27	H7    -0.2606     2.6293     0.5809	H	1	noname	0.0235
28	H8    -2.7055    -0.8324    -0.5767	H	1	noname	0.0235
29	H9    -1.1812    -0.1779     1.7815	H	1	noname	0.0235
30	H10     1.7230    -2.3623    -0.1979	H	1	noname	0.0279
31	H11     0.2635    -3.0243    -1.1959	H	1	noname	0.0279
32	H12     1.9299    -3.6805    -2.8820	H	1	noname	0.0441
33	H13     3.2208    -3.3945    -1.5345	H	1	noname	0.0441
34	H14     4.6489    -7.0818    -0.6626	H	1	noname	0.0676
35	H15     3.5225    -6.3888     1.4238	H	1	noname	0.0676
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	1	5	1
5	1	6	1
6	1	7	1
7	1	8	1
8	1	9	1
9	1	10	1
10	1	11	1
11	2	12	1
12	2	3	1
13	2	4	1
14	3	5	1
15	4	6	1
16	5	6	1
17	7	8	1
18	7	9	1
19	8	10	1
20	9	11	1
21	10	11	1
22	12	13	1
23	13	14	1
24	14	15	1
25	14	16	1
26	15	17	2
27	15	18	1
28	16	19	2
29	16	20	1
30	18	20	2
31	3	21	1
32	4	22	1
33	5	23	1
34	6	24	1
35	7	25	1
36	8	26	1
37	9	27	1
38	10	28	1
39	11	29	1
40	12	30	1
41	12	31	1
42	13	32	1
43	13	33	1
44	18	34	1
45	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1