* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/88/01/04skc0013p21c.mol"
Structure: 1
InChI=1/C4H12N.C4H6O6/c1-3-5-4-2;5-1(3(7)8)2(6)4(9)10/h3-5H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
AuxInfo=1/1/N:16,26,20,23,30;2,4,1,6,10,12,7,8,14,15/E:(1,2)(3,4);(1,2)(3,4)(5,6)(7,8,9,10)/gE:;(1,2)/it:;im/CRV:5.4;/rA:32nCCHCHCOOHOHOHOOCHHHCHHCHHCHHHN4HH/rB:s1;s2;s2;s4;s4;d1;s1;s8;s2;s10;s4;s12;d6;s6;;s16;s16;s16;s16;s20;s20;;s23;s23;s23;s26;s26;s26;s20s23;s30;s30;/rC:6.1503,.7113,-1.2365;6.4249,.9338,.2423;7.374,.6703,.4167;6.2875,2.4116,.5884;6.8968,2.9375,-.0057;6.705,2.6387,2.0417;5.1984,.0818,-1.6506;7.0521,1.2973,-1.9819;6.7985,1.294,-2.7823;5.6049,.1355,1.0606;4.8038,.3703,.968;4.9544,2.831,.356;4.6206,3.1141,1.0725;7.8217,2.226,2.39;5.8637,3.2547,2.755;6.4064,-3.2945,1.1571;7.2823,-3.5261,1.5307;6.5002,-2.5273,.5542;6.0516,-4.0597,.6587;5.4592,-2.941,2.2778;4.5671,-2.7315,1.903;5.3625,-3.716,2.8868;5.0454,-1.3262,4.1247;4.9761,-2.0365,4.8113;4.142,-1.1735,3.7488;5.5466,-.057,4.7626;6.4436,-.207,5.1263;4.9395,.207,5.4858;5.5815,.6551,4.0896;5.9672,-1.7679,3.042;6.7811,-1.9833,3.4123;6.1006,-1.0681,2.4601;