* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/54/01/07skc0014.mol"
Structure: 1
InChI=1/C5H14N2.2C4H4O4/c1-7-4-2-6-3-5-7;2*5-3(6)1-2-4(7)8/h7H,2-6H2,1H3;2*1-2,5,7H/q;2*-2/p-2/b;2*2-1+
AuxInfo=1/1/N:26,14,20,11,23,17,30;33,39,32,38,36,35,42,41;2,4,1,6,8,7,10,9/E:(2,3)(4,5);2*(1,2)(3,4)(5,7)(6,8)/CRV:6.4,7.4;2*6-1.2,8-1.2/rA:43nCCHCHCO2-O-O2-O-CHHCHHN4HHCHHCHHCHHHN4HCCHO2-OHCCHO2-OH/rB:s1;s2;d2;s4;s4;d1;s1;d6;s6;;s11;s11;s11;s14;s14;s14;s17;s17;s17;s20;s20;s20;s23;s23;;s26;s26;s26;s11s23s26;s30;;s32;s33;d32;s32;s36;;d33s38;s39;d38;s38;s42;/rC:2.356,8.099,1.408;3.086,6.787,1.436;2.843,6.119,.807;4.053,6.522,2.3;4.316,7.204,2.907;4.754,5.198,2.37;2.74,9.014,2.193;1.384,8.211,.617;4.439,4.301,1.549;5.632,5.06,3.274;.278,1.846,3.564;-.203,2.636,3.917;.471,1.239,4.323;-.589,1.136,2.559;-.14,.305,2.263;-1.449,.887,2.98;-.845,2.015,1.38;-1.328,1.546,.753;-1.349,2.737,1.644;.419,2.499,.763;.208,3.121,.023;.918,1.731,.387;1.276,3.205,1.786;2.126,3.493,1.368;.805,4.01,2.118;2.456,2.909,3.939;3.288,3.193,3.508;2.659,2.26,4.645;2.008,3.688,4.332;1.563,2.281,2.928;1.991,1.527,2.592;4.428,8.46,6.14;3.354,7.458,5.963;3.372,6.668,6.489;4.467,9.513,5.528;5.327,8.093,7.039;5.842,8.737,7.199;1.3,6.623,4.919;2.373,7.625,5.096;2.355,8.416,4.569;1.26,5.571,5.53;.4,6.99,4.02;-.115,6.346,3.859;