* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/58/01/04skc0008.mol"
Structure: 1
InChI=1/C8H20N.C6H18N2.C4H6O6.BrH.H2O/c1-5-9(6-2,7-3)8-4;1-7(2)5-6-8(3)4;5-1(3(7)8)2(6)4(9)10;;/h5-8H2,1-4H3;7-8H,5-6H2,1-4H3;1-2,5-7,9H;1H;1H2/q;;-2;;/t;;1-,2-;;/m..0../s1
AuxInfo=1/0/N:29,33,37,41,17,20,23,26,45;51,55,64,68,48,61,46,59;2,4,1,6,10,12,7,9,15,14;72;73/E:(1,2,3,4)(5,6,7,8);(1,2,3,4)(5,6)(7,8);(1,2)(3,4)(5,6)(7,9)(8,10);;/it:;;im;;/CRV:9.4;7.4,8.4;8-1.2,10-1.2;;/rA:75nCCHCHCOHO2-OHOHO2-OHCHHCHHCHHCHHCHHHCHHHCHHHCHHHN4N4HCHHCHHHCHHHN4HCHHCHHHCHHHBrOHH/rB:s1;s2;s2;s4;s4;s1;s7;d1;s2;s10;s4;s12;d6;s6;s15;;s17;s17;;s20;s20;;s23;s23;;s26;s26;s17;s29;s29;s29;s20;s33;s33;s33;s23;s37;s37;s37;s26;s41;s41;s41;s17s20s23s26;;s46;s46;s48;s48;s46;s51;s51;s51;s46;s55;s55;s55;;s59;s48s59;s61;s61;s59;s64;s64;s64;s59;s68;s68;s68;;;s73;s73;/rC:1.234,8.162,12.669;-.167,8.206,12.076;-.643,9.017,12.416;-.926,6.955,12.516;-.901,6.913,13.515;-2.376,7.002,12.083;1.232,8.352,13.931;1.996,8.19,14.239;2.22,7.952,11.954;-.158,8.231,10.666;.002,9.011,10.4;-.265,5.822,12.016;-.824,5.306,11.659;-2.893,6.139,11.424;-2.997,8.071,12.535;-3.808,8.037,12.317;2.594,2.882,4.863;1.988,2.151,5.142;3.373,2.873,5.474;1.933,2.554,2.472;2.299,2.387,1.567;1.5,3.444,2.458;3.796,1.267,3.49;3.144,.564,3.739;4.487,1.298,4.198;4.014,3.696,2.977;4.253,3.52,2.033;3.527,4.557,3.007;1.869,4.195,5.032;2.5,4.935,4.907;1.484,4.242,5.932;1.153,4.26,4.367;.874,1.508,2.762;1.281,.617,2.743;.169,1.56,2.083;.487,1.671,3.648;4.456,.875,2.184;3.776,.808,1.482;4.902,.009,2.291;5.117,1.554,1.936;5.29,3.836,3.78;5.068,4.044,4.712;5.835,4.559,3.405;5.792,2.995,3.744;3.082,2.595,3.454;3.954,9.192,8.089;4.256,8.69,7.366;2.712,8.545,8.61;1.979,8.662,7.955;2.441,8.984,9.455;5.049,9.264,9.08;4.743,9.757,9.87;5.818,9.727,8.685;5.313,8.358,9.342;3.606,10.551,7.586;3.236,11.086,8.32;2.94,10.474,6.871;4.411,10.987,7.238;1.693,6.424,9.38;1.391,6.926,10.102;2.935,7.071,8.858;3.668,6.954,9.514;3.206,6.632,8.014;.597,6.352,8.389;.904,5.859,7.599;-.171,5.89,8.784;.334,7.258,8.126;2.041,5.065,9.883;2.411,4.53,9.149;2.706,5.142,10.598;1.235,4.629,10.231;5.114,4.392,7.641;-.31,2.266,6.749;-.877,2.854,6.919;.066,2.044,7.456;