* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/58/01/2009src0239.mol"
Structure: 1
InChI=1/2C9H17N2O.2HI/c2*1-8(2)10-4-5-11(7-10)9(3)6-12;;/h2*4-5,7-9,12H,6H2,1-3H3;2*1H/t2*9-;;/m11../s1
AuxInfo=1/0/N:3,7,13,41,39,15,37,1,11,49,50,35;27,31,21,45,47,18,43,25,23,52,51,36;53;54/E:2*(1,2);;/it:2im;;/CRV:11.4;10.4;;/rA:54nCHCHHHCHHHCHCHCHHCHHCHCHCHCHHHCHHHOOCHCHCHCHCHCHNN4NN4II/rB:s1;s1;s3;s3;s3;s1;s7;s7;s7;;s11;s11;s13;s11;s15;s15;;s18;s18;;s21;s18s21;s23;;s25;s25;s27;s27;s27;s25;s31;s31;s31;s15;s18;;s37;;s39;d39;s41;;s43;;s45;d45;s47;s1s37s41;s11d37s39;s23s43s47;s25d43s45;;;/rC:4.6803,11.3787,4.7568;4.8348,11.2829,3.7729;5.8046,10.6802,5.4872;5.6608,10.752,6.4548;6.6583,11.1002,5.2522;5.8233,9.7348,5.229;4.6106,12.8702,5.0917;3.7926,13.2532,4.7103;5.392,13.3271,4.7149;4.6035,12.9866,6.064;.626,8.512,4.4228;.117,8.1127,5.1848;1.2815,7.4088,3.5798;2.2191,7.2239,3.8752;-.3259,9.1571,3.4272;-1.1984,8.6882,3.4239;-.4769,10.108,3.6542;.2152,11.5081,9.2751;1.1047,11.9411,9.2484;.3313,10.5497,9.4926;-1.2288,13.3707,9.4901;-2.1361,13.6426,9.8113;-.6867,12.1881,10.2956;-.1688,12.4971,11.0929;-4.1927,8.6784,10.0997;-3.8042,8.3858,9.2274;-4.1739,7.5078,11.0255;-3.255,7.1836,11.1232;-4.7356,6.793,10.658;-4.5204,7.7776,11.9001;-5.6108,9.1908,9.8322;-5.9912,9.5466,10.6626;-6.168,8.4532,9.5089;-5.5804,9.8991,9.1577;.3233,9.0374,2.1323;-.4679,11.6659,8.0186;2.7451,9.8871,4.2964;3.0237,9.626,3.4263;1.5762,10.0862,6.1491;.8993,9.9752,6.806;2.6505,10.8793,6.242;2.8639,11.4428,6.9758;-2.3379,10.3266,9.962;-2.0289,10.0557,9.1065;-3.4917,10.467,11.8289;-4.1418,10.2994,12.5025;-2.5245,11.4124,11.8659;-2.3647,12.0292,12.57;3.3925,10.7368,5.0922;1.636,9.4585,4.9168;-1.8173,11.3112,10.6903;-3.3577,9.7827,10.618;5.0426,7.729,2.3375;-.6454,7.5568,8.1699;