* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/98/01/06skc0082p21n.mol"
Structure: 1
InChI=1/C4H7N2.C4H6O6/c1-6-3-2-5-4-6;5-1(3(7)8)2(6)4(9)10/h2-5H,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1
AuxInfo=1/1/N:22,18,20,16,27,26;2,4,1,6,9,11,7,8,13,15/E:;(1,2)(3,4)(5,6)(7,8,9,10)/gE:;(1,2)/it:;im/CRV:5.4;/rA:28nCCHCHCOOOHOHOHOCHCHCHCHHHNN4H/rB:s1;s2;s2;s4;s4;s1;d1;s2;s9;s4;s11;s6;s13;d6;;s16;;s18;d18;s20;;s22;s22;s22;s16s20s22;d16s18;s27;/rC:6.2554,.596,3.8012;4.7729,.8993,3.5373;4.3009,.9649,4.4163;4.1475,-.2567,2.7292;4.08,-1.0566,3.3257;2.7416,.1587,2.3246;6.5439,-.055,4.8213;7.0944,1.0136,2.942;4.6153,2.1273,2.8498;4.1827,2.6634,3.3313;4.9332,-.6009,1.6115;4.5578,-.3294,.9101;1.9592,.2638,3.3614;1.1877,.4796,3.1098;2.4417,.3816,1.1693;7.3401,1.8713,-.5239;8.1754,1.4227,-.4708;5.3814,2.6866,-.0035;4.6012,2.9088,.4913;5.627,3.0019,-1.2895;5.0547,3.4886,-1.8704;7.5279,2.6069,-2.8967;8.4734,2.3699,-2.7972;7.455,3.5295,-3.2196;7.1059,2.0018,-3.5416;6.8538,2.4877,-1.5988;6.4597,1.9912,.4602;6.5543,1.6745,1.2767;