* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/08/01/99SRC238.mol" Structure: 1 InChI=1/C6H15NO2.ClH.Co/c1-3-8-6(5-7)9-4-2;;/h6H,3-5,7H2,1-2H3;1H;/q;;+1/p-1 AuxInfo=1/1/N:16,23,13,20,8,11,5,3,4;2;1/E:(1,2)(3,4)(8,9);;/rA:26nCoClOON4HHCHHCHCHHCHHHCHHCHHH/rB:s1;;;s1;s5;s5;s5;s8;s8;s3s4s8;s11;s3;s13;s13;s13;s16;s16;s16;s4;s20;s20;s20;s23;s23;s23;/rC:0,7.0277,.7605;1.3122,8.3368,-.5265;3.7636,4.7215,2.6781;2.0972,3.1452,2.4038;1.219,5.8085,1.8579;1.6723,6.3088,2.3636;.7503,5.3426,2.3162;2.0983,5.0009,.9849;2.6213,5.5856,.5135;1.5535,4.4821,.4334;2.9679,4.0277,1.7509;3.559,3.533,1.0982;5.1433,4.3684,2.671;5.499,4.6975,1.7922;5.2033,3.4049,2.6592;5.825,5.0051,3.8278;6.8049,4.8258,3.8798;5.4757,4.7077,4.6775;5.8265,5.9987,3.7693;2.7556,2.0088,2.9582;3.333,2.3971,3.7564;3.3681,1.5538,2.2767;1.7381,1.0532,3.4435;2.1739,.2832,3.816;1.1792,.7816,2.7116;1.1999,1.4738,4.118;