* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/80/01/2008lsh022.mol"
Structure: 1
InChI=1/C15H16N2O3/c1-19-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(20-2)10-6-12/h3-10,16-17H,1-2H3/q-1
AuxInfo=1/0/N:22,26,2,9,13,20,4,7,15,18,1,12,6,17,11,30,31,32,33,34/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(16,17)(19,20)/CRV:18-1.2/rA:36nCCHCHCCHCHCCCHCHCCHCHCHHHCHHHNNO2-OOHH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;;d12;s13;s13;s15;d15;s17;s18;s12d18;s20;;s22;s22;s22;;s26;s26;s26;s1s11;s11s12;d11;s6s22;s17s26;s30;s31;/rC:3.386,4.828,1.971;2.681,4.948,.796;2.625,5.796,.371;2.045,3.848,.214;1.555,3.947,-.594;2.14,2.61,.831;2.893,2.477,1.989;2.988,1.622,2.393;3.507,3.578,2.563;4.011,3.478,3.361;3.312,7.072,2.945;3.599,9.336,3.915;2.426,9.438,4.644;1.872,8.674,4.749;2.047,10.646,5.226;1.232,10.704,5.712;2.856,11.762,5.096;4.039,11.659,4.374;4.603,12.419,4.285;4.402,10.471,3.788;5.21,10.42,3.291;.673,1.595,-.765;-.051,2.216,-.54;.295,.718,-.986;1.171,1.939,-1.536;1.49,13.093,6.53;.659,12.925,6.038;1.462,13.993,6.918;1.586,12.431,7.246;4.02,5.975,2.551;4.071,8.125,3.347;2.075,7.085,2.934;1.557,1.465,.356;2.593,12.995,5.643;4.87,6,2.574;4.931,8.039,3.266;