* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/07/01/07skc0017p-1.mol"
Structure: 1
InChI=1/C4H4O4.C2H10N2/c5-3(6)1-2-4(7)8;3-1-2-4/h1-2,5,7H;1-2H2,3-4H3/q-2;/p-2/b2-1+;
AuxInfo=1/1/N:2,7,1,6,5,4,10,9;11,18,14,21/E:(1,2)(3,4)(5,7)(6,8);(1,2)(3,4)/CRV:6-1.2,8-1.2;3.4,4.4/rA:24nCCHO2-O-CCHO2-O-CHHN4HHHCHHN4HHH/rB:s1;s2;d1;s1;;d2s6;s7;d6;s6;;s11;s11;s11;s14;s14;s14;s11;s18;s18;s18;s21;s21;s21;/rC:.529,4.911,1.148;-.499,5.754,.451;-.545,6.678,.667;.463,3.65,1.015;1.416,5.5,1.809;-2.376,6.119,-1.148;-1.347,5.276,-.451;-1.301,4.352,-.667;-2.31,7.38,-1.015;-3.263,5.53,-1.809;-.804,2.014,3.775;-1.111,1.077,3.689;.029,2.117,3.251;-.541,2.326,5.199;-.376,3.216,5.289;.181,1.853,5.485;-1.268,2.101,5.698;-1.868,2.954,3.236;-1.561,3.891,3.323;-2.701,2.851,3.761;-2.13,2.642,1.813;-2.296,1.752,1.723;-2.853,3.115,1.527;-1.404,2.867,1.314;