* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/53/01/04skc0001c2c.mol"
Structure: 1
InChI=1/C4H6O6.C3H10N2.C2H7N.CH5N/c5-1(3(7)8)2(6)4(9)10;1-2-3-5-4;1-2-3;1-2/h1-2,5-6H,(H,7,8)(H,9,10);5H,2-4H2,1H3;2-3H2,1H3;2H2,1H3/t1-,2-;;;/m1.../s1
AuxInfo=1/1/N:2,4,1,6,10,12,7,9,14,15;17,29,19,21,31;33,23,35;27,25/E:(1,2)(3,4)(5,6)(7,8,9,10);;;/gE:(1,2);;;/it:im;;;/rA:36nCCHCHCOHOOHOHOOHCHCHNHCHNHCHCHNHCHNH/rB:s1;s2;s2;s4;s4;s1;s7;d1;s2;s10;s4;s12;d6;s6;s15;;s17;;s19;;s21;;s23;;s25;s25;s27;s17s19;s29;s19s21;s31;s23;s33;s23;s35;/rC:.1611,-.3155,2.088;-.0539,.2518,3.4869;-.7061,-.3419,3.9571;1.2594,.2035,4.2677;1.4852,-.7485,4.4747;1.1132,.9729,5.5616;-.119,.5007,1.1327;.1708,.1936,.4081;.5617,-1.4582,1.9431;-.5903,1.5682,3.4869;-.1592,2.0464,2.9471;2.3137,.7749,3.4943;2.6196,1.4477,3.8935;1.799,1.9688,5.7508;.238,.4907,6.3793;.3235,.86,7.129;-2.2275,2.8367,5.9238;-1.6731,2.7576,5.1579;-3.2919,2.1201,6.2033;-3.6427,1.4169,5.6665;-3.8008,2.5431,7.3804;-4.5137,2.2141,7.7782;-3.0585,3.5285,7.8373;-3.1957,4.0018,8.6477;-2.0744,3.7375,6.9634;-1.441,4.3432,7.0344;-1.8573,3.0756,6.1383;-1.0142,3.2418,5.7346;-2.8047,2.2594,5.6991;-2.7663,1.7498,4.8961;-3.8362,2.2694,6.5819;-4.5839,1.814,6.5035;-3.5178,3.0656,7.5667;-4.0444,3.2199,8.3445;-2.3476,3.633,7.3079;-1.9517,4.2496,7.793;