* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/12/77/01/2010src0401.mol"
Structure: 1
InChI=1/C11H11N2.C5H5.Fe/c1-13-8-4-7-11(13)9-12-10-5-2-3-6-10;1-2-4-5-3-1;/h2-9H,1H3;1-5H;/b12-9+;;
AuxInfo=1/0/N:29,4,6,25,2,8,23,27,20,1,22,33,34;10,12,18,14,16;35/E:(2,3)(5,6);(1,2,3,4,5);/CRV:5.3;4.3;/rA:35nCCHCHCHCHCHCHCHCHCHCHCCHCHCHCHHHNNFe/rB:s1;s2;s2;s4;d4;s6;d1s6;s8;;s10;d10;s12;s12;s14;s14;s16;s10d16;s18;;s20;s20;d22;s23;s23;s25;d25;s27;;s29;s29;s29;s1d20;s22s27s29;s2s14;/rC:7.6028,-1.1996,3.7205;7.2658,-1.7988,2.4659;6.5843,-2.4449,2.3224;8.128,-1.2597,1.4698;8.1237,-1.484,.5466;8.9999,-.3233,2.1012;9.6791,.1821,1.6703;8.6783,-.2755,3.4868;9.0996,.2699,4.1407;5.3313,1.0984,3.0506;4.8452,.8495,3.8279;6.3801,2.049,2.9972;6.7228,2.545,3.7313;6.8292,2.1296,1.6505;7.5258,2.6884,1.3263;6.0532,1.228,.876;6.1361,1.0823,-.0591;5.1309,.581,1.7424;4.4948,-.0787,1.492;7.1891,-.8355,5.9687;7.8111,-.122,5.8875;6.6,-1.0623,7.2629;6.8343,-.3235,8.416;7.431,.411,8.4993;6.0293,-.8583,9.4378;5.9816,-.5538,10.3364;5.325,-1.9039,8.8918;4.7004,-2.4487,9.3561;5.0904,-3.0411,6.6984;4.4089,-3.5487,7.1867;5.7949,-3.6501,6.393;4.6791,-2.603,5.9243;6.9368,-1.5244,4.9188;5.6657,-2.0359,7.5745;7.0489,.2286,2.3584;