* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/09/09/01/02src283.mol"
Structure: 1
InChI=1/C12H22N2.C5H7.Fe.HI/c1-13(2)9-11-7-6-8-12(11)10-14(3,4)5;1-2-4-5-3-1;;/h6-8H,9-10H2,1-5H3;1-2,5H,3-4H2;;1H
AuxInfo=1/0/N:24,43,14,20,32,39,37,8,5,28,31,36,4,3;10,47,41,12,18;2;1/E:(1,2)(3,4,5);(1,2)(3,4);;/CRV:12.3,14.4;5.3;;/rA:48nIFeN4NCHHCHCHCHCHHHCHCHHHCHHHCHHCCHHHCCHCHCHCHHHCH/rB:;;;s4;s5;s5;;s8;;s10;;s12;s3;s14;s14;s14;s2s12;s18;s3;s20;s20;s20;s4;s24;s24;s24;s3;s28;s28;s5;s3;s32;s32;s32;s2s8s28s31;d31;s37;d8s37;s39;s10s18;s41;s4;s43;s43;s43;d10s12;s47;/rC:11.1165,6.1173,21.0282;11.2149,2.0759,17.4788;11.5075,1.7703,21.8741;14.8523,3.1017,19.8018;13.6838,3.4389,18.9657;13.9896,3.8858,18.137;13.0988,4.0693,19.456;11.4181,.4327,18.6696;10.7284,-.1593,18.9458;10.8857,3.9147,16.6616;11.4926,4.6456,16.6594;9.2237,2.4666,17.2813;8.5183,2.0554,17.7669;11.3892,.2874,22.0012;11.9704,-.1445,21.3409;10.4599,.0191,21.8435;11.6595,.0142,22.9027;9.7619,2.0157,16.0535;9.4827,1.2457,15.5722;10.6161,2.4251,22.8856;9.6938,2.1214,22.7534;10.6584,3.3981,22.7769;10.9134,2.1839,23.7877;15.9337,2.5772,19.0027;16.2187,3.2543,18.3541;15.6295,1.7764,18.5268;16.6871,2.3449,19.5848;11.07,2.2268,20.4921;10.1101,2.0115,20.3811;11.161,3.2115,20.4448;12.903,2.2057,18.6101;12.9152,2.2005,22.1281;13.2046,1.8703,23.0042;12.965,3.1791,22.115;13.4994,1.8343,21.4317;11.8228,1.6283,19.3497;13.1274,1.3704,17.4761;13.78,1.5182,16.8017;12.2216,.2879,17.519;12.1634,-.4158,16.8834;10.7891,2.9107,15.6656;11.3183,2.8491,14.879;15.339,4.2556,20.5615;15.9932,3.9562,21.2269;14.5863,4.689,21.0153;15.7632,4.8936,19.9505;9.9218,3.6391,17.659;9.7694,4.151,18.4446;