* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/94/01/2009lsh001.mol"
Structure: 1
InChI=1/C15H18N2O2/c1-3-7-14(18)17(15(19)8-4-2)13-10-6-5-9-12(13)11-16/h5-6,9-10H,3-4,7-8H2,1-2H3
AuxInfo=1/0/N:18,29,15,26,5,7,12,23,3,9,33,2,1,11,22,35,34,36,37/E:(1,2)(3,4)(7,8)(14,15)(18,19)/rA:37nCCCHCHCHCHCCHHCHHCHHHCCHHCHHCHHHCNNOO/rB:s1;d2;s3;s3;s5;d5;s7;d1s7;s9;;s11;s12;s12;s12;s15;s15;s15;s18;s18;s18;;s22;s23;s23;s23;s26;s26;s26;s29;s29;s29;s2;s1s11s22;t33;d11;d22;/rC:4.0329,2.4832,6.9118;5.0438,3.1207,7.6402;4.7173,4.0023,8.6733;5.4028,4.4287,9.1741;3.3837,4.2495,8.9614;3.1539,4.8457,9.6644;2.381,3.6273,8.2247;1.4695,3.8055,8.4247;2.7037,2.7435,7.194;2.0162,2.3239,6.6903;4.3574,.1664,6.1342;4.2158,-.2249,7.5887;3.3455,.0991,7.9317;4.9325,.2093,8.1159;4.2993,-1.7338,7.7724;5.1667,-2.0561,7.4205;3.5794,-2.165,7.2472;4.1682,-2.1472,9.2326;4.8823,-1.7273,9.7563;4.2407,-3.1219,9.304;3.2975,-1.8582,9.577;4.7246,2.1421,4.6196;5.1801,1.2644,3.483;4.4626,.6176,3.2662;5.9754,.7496,3.7704;5.5275,2.0591,2.2327;6.3052,2.6436,2.4161;4.762,2.6344,1.9814;5.8573,1.1149,1.082;5.0755,.559,.8813;6.6098,.5408,1.336;6.0985,1.638,.2892;6.4131,2.8465,7.2957;4.3893,1.552,5.8659;7.4903,2.6007,6.9888;4.4476,-.6627,5.2575;4.6568,3.3496,4.524;