* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/10/01/2008skc0001nd.mol" Structure: 1 InChI=1/2C3H5N2.C3H4O4/c2*1-2-5-3-4-1;4-2(5)1-3(6)7/h2*1-5H;4,6H,1H2/q;;-2/p-1 AuxInfo=1/1/N:3,5,1,9,7;13,15,11,19,17;22,21,25,27,26,29,28/E:2*(1,2)(4,5);(2,3)(4,6)(5,7)/CRV:2*4.4;5-1.2,7-1.2/rA:30nCHCHCHNHN4HCHCHCHNHN4HCCHHCO2-O-O2-OH/rB:s1;;s3;d3;s5;s1s5;s7;d1s3;s9;;s11;;s13;d13;s15;s11s15;s17;d11s13;s19;;s21;s22;s22;s22;d21;s21;d25;s25;s29;/rC:6.459,.95,9.761;6.905,.247,10.218;5.343,2.799,9.342;4.874,3.615,9.469;5.606,2.201,8.16;5.356,2.513,7.299;6.307,1.049,8.446;6.605,.471,7.853;5.883,2.004,10.33;5.85,2.167,11.194;7.953,5.236,8.433;7.463,5.995,8.728;8.711,3.24,8.431;8.84,2.332,8.679;8.764,3.707,7.187;9.082,3.232,6.428;8.301,4.943,7.186;8.235,5.475,6.488;8.462,4.182,9.234;8.58,4.184,10.106;2.744,.973,10.609;3.397,-.088,11.475;3.967,.353,12.154;3.98,-.655,10.91;2.37,-.972,12.181;2.266,1.995,11.18;2.691,.815,9.363;2.6,-1.411,13.303;1.307,-1.225,11.495;.572,-2.018,12.079;