* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/64/01/06skc0035p21c.mol"
Structure: 1
InChI=1/C4H10NO.C4H6O4/c1-3-6-4-2-5-1;5-3(6)1-2-4(7)8/h1-5H2;5,7H,1-2H2/q;-2/p-2
AuxInfo=1/1/N:16,19,13,22,25,28;2,8,1,7,6,5,12,11/E:(1,2)(3,4);(1,2)(3,4)(5,7)(6,8)/CRV:5.4;6-1.2,8-1.2/rA:28nCCHHO2-O-CCHHO2-O-CHHCHHCHHCHHN4HHO/rB:s1;s2;s2;d1;s1;;s2s7;s8;s8;d7;s7;;s13;s13;s13;s16;s16;;s19;s19;s19;s22;s22;s16s19;s25;s25;s13s22;/rC:3.37,-.466,2.49;3.987,-.631,3.875;3.282,-.931,4.503;4.673,-1.344,3.832;3.924,.318,1.676;2.351,-1.154,2.21;5.249,.466,5.817;4.632,.631,4.432;5.337,.931,3.805;3.946,1.344,4.475;4.695,-.318,6.631;6.268,1.154,6.097;-1.313,-.062,6.083;-1.186,-.939,5.641;-2.282,.139,6.09;-.803,-.139,7.508;-1.025,.701,7.985;-1.248,-.887,7.98;1.382,.615,6.646;2.337,.361,6.579;1.33,1.524,7.034;.758,.611,5.272;1.226,1.265,4.694;.86,-.286,4.866;.668,-.346,7.524;.976,-.253,8.386;.856,-1.203,7.248;-.624,.946,5.346;