@<TRIPOS>MOLECULE
DB01710
37 44 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Fe1     0.4696    -0.3417    -0.1226	Fe	1	noname	-0.0065
2	N1     0.4266     1.4272     0.5891	N.3	1	noname	-0.0682
3	N2     0.2095    -1.7320    -1.4129	N.3	1	noname	-0.0682
4	N3    -1.0012    -0.9487     0.9607	N.3	1	noname	-0.0682
5	N4     2.2090     0.0166    -0.8688	N.3	1	noname	-0.0682
6	C1    -0.4834     1.8540     1.4681	C.2	1	noname	-0.0889
7	C2     1.2236     2.4253     0.2949	C.2	1	noname	-0.0889
8	C3    -0.8168    -2.5801    -1.4224	C.2	1	noname	-0.0889
9	C4     0.9051    -1.9295    -2.5071	C.2	1	noname	-0.0889
10	C5    -1.4953    -0.2945     2.0204	C.2	1	noname	-0.0889
11	C6    -1.6396    -2.1198     0.8295	C.2	1	noname	-0.0889
12	C7     3.0263     1.0218    -0.5394	C.2	1	noname	-0.0889
13	C8     2.8544    -0.8276    -1.6768	C.2	1	noname	-0.0889
14	C9    -1.2425     1.0462     2.2796	C.2	1	noname	-0.0371
15	C10    -0.5100     3.2402     1.3839	C.2	1	noname	-0.0390
16	C11     2.5009     2.2521    -0.1165	C.2	1	noname	-0.0371
17	C12     0.5608     3.5901     0.5558	C.2	1	noname	-0.0390
18	C13    -1.5525    -2.9137    -0.3062	C.2	1	noname	-0.0371
19	C14    -0.9794    -3.0048    -2.7386	C.2	1	noname	-0.0390
20	C15     2.1964    -1.5863    -2.6310	C.2	1	noname	-0.0371
21	C16     0.1269    -2.5289    -3.4496	C.2	1	noname	-0.0390
22	C17    -2.3462    -1.1455     2.7205	C.2	1	noname	-0.0390
23	C18    -2.4367    -2.3145     1.9565	C.2	1	noname	-0.0390
24	C19     4.3265     0.5862    -0.8046	C.2	1	noname	-0.0390
25	C20     4.2141    -0.6065    -1.5248	C.2	1	noname	-0.0390
26	H1    -1.6674     1.4935     3.1782	H	1	noname	0.0661
27	H2    -1.2209     3.9115     1.8657	H	1	noname	0.0642
28	H3     3.1326     3.1403    -0.1068	H	1	noname	0.0661
29	H4     0.8274     4.5798     0.1852	H	1	noname	0.0642
30	H5    -2.0961    -3.8584    -0.3226	H	1	noname	0.0661
31	H6    -1.8078    -3.5929    -3.1336	H	1	noname	0.0642
32	H7     2.7202    -1.9300    -3.5229	H	1	noname	0.0661
33	H8     0.3384    -2.6085    -4.5160	H	1	noname	0.0642
34	H9    -2.8394    -0.9392     3.6703	H	1	noname	0.0642
35	H10    -3.0171    -3.2061     2.1937	H	1	noname	0.0642
36	H11     5.2507     1.0815    -0.5069	H	1	noname	0.0642
37	H12     5.0233    -1.2368    -1.8935	H	1	noname	0.0642
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	1	5	1
5	2	6	1
6	2	7	1
7	3	8	1
8	3	9	1
9	4	10	1
10	4	11	1
11	5	12	1
12	5	13	1
13	6	14	2
14	6	15	1
15	7	16	2
16	7	17	1
17	8	18	2
18	8	19	1
19	9	20	2
20	9	21	1
21	10	22	2
22	10	14	1
23	11	23	2
24	11	18	1
25	12	24	2
26	12	16	1
27	13	25	2
28	13	20	1
29	15	17	2
30	19	21	2
31	22	23	1
32	24	25	1
33	14	26	1
34	15	27	1
35	16	28	1
36	17	29	1
37	18	30	1
38	19	31	1
39	20	32	1
40	21	33	1
41	22	34	1
42	23	35	1
43	24	36	1
44	25	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1