* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/04/01/07skc0011p21c.mol"
Structure: 1
InChI=1/C6H10O4.C3H6N2O/c7-5(8)3-1-2-4-6(9)10;6-3-4-1-2-5-3/h7,9H,1-4H2;4-5H,1-2H2/q-2;-1
AuxInfo=1/0/N:5,8,2,11,1,14,15,17,19,18;22,25,21,30,28,32/E:(1,2)(3,4)(5,6)(7,9)(8,10);(1,2)(4,5)/CRV:8-1.2,10-1.2;6-1.2/rA:32nCCHHCHHCHHCHHCOHO2-O2-OHCCHHCHHNHNHO2-/rB:s1;s2;s2;s2;s5;s5;s5;s8;s8;s8;s11;s11;s11;s1;s15;d1;d14;s14;s19;;;s22;s22;s22;s25;s25;s21s25;s28;s21s22;s30;d21;/rC:4.483,-.646,10.757;4.476,.835,10.441;5.41,1.163,10.409;4.012,1.319,11.169;3.793,1.157,9.118;2.85,.861,9.161;4.237,.648,8.393;3.832,2.645,8.779;3.421,3.159,9.517;4.774,2.936,8.691;3.092,2.946,7.484;3.543,2.475,6.741;2.171,2.589,7.552;3.024,4.408,7.161;5.237,-.961,11.776;5.219,-1.793,11.89;3.851,-1.462,10.11;3.38,5.292,7.908;2.506,4.638,5.961;2.455,5.467,5.831;2.042,8.113,6.29;2.295,9.294,8.254;3.073,9.67,8.735;1.576,9.089,8.902;1.802,10.243,7.151;1.031,10.783,7.456;2.524,10.848,6.845;1.415,9.305,6.103;.857,9.484,5.448;2.665,8.12,7.478;3.223,7.497,7.753;2.015,7.172,5.469;