* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/79/01/05skc0002p1.mol"
Structure: 1
InChI=1/C4H6O6.CH6N/c5-1(3(7)8)2(6)4(9)10;1-2/h1-2,5-6H,(H,7,8)(H,9,10);1-2H3/t1-,2-;/m1./s1
AuxInfo=1/1/N:2,4,1,6,10,12,7,8,14,15;16,20/E:(1,2)(3,4)(5,6)(7,8,9,10);/gE:(1,2);/it:im;/CRV:;2.4/rA:23nCCHCHCOOHOHOHOOCHHHN4HHH/rB:s1;s2;s2;s4;s4;d1;s1;s8;s2;s10;s4;s12;s6;d6;;s16;s16;s16;s16;s20;s20;s20;/rC:2.342,-.2122,1.0315;2.9433,-.111,2.4254;3.8721,-.4806,2.4063;2.999,1.358,2.8628;3.6273,1.8324,2.2468;3.604,1.4075,4.2663;1.3278,-.8693,.8506;3.0042,.4267,.1213;2.6604,.2793,-.6308;2.1713,-.8542,3.3488;1.6024,-1.3124,2.9342;1.7379,1.9827,2.7489;1.2323,1.7056,3.3598;2.8296,1.7023,5.2265;4.8118,1.1281,4.3781;-1.0151,-2.8844,-.7661;-1.4258,-3.4132,-1.4814;-1.6983,-2.3265,-.3382;-.6208,-3.4858,-.1;.0423,-2.0186,-1.3373;.5145,-1.632,-.6624;-.34,-1.3711,-1.8497;.6012,-2.5211,-1.8497;