* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/90/01/03src0516.mol" Structure: 1 InChI=1/C18H22N.CH4O.ClH/c1-15-8-7-12-17-11-5-6-13-18(17)19(15)14-16-9-3-2-4-10-16;1-2;/h2-6,9-11,13,15,19H,7-8,12,14H2,1H3;2H,1H3;1H/t15-;;/m0../s1 AuxInfo=1/0/N:22,34,32,36,5,7,14,17,30,38,3,11,9,26,20,29,2,1,40;43,47;42/E:(3,4)(9,10);;/it:im;;/CRV:19.4;;/rA:48nCCCHCHCHCHCHHCHHCHHCHCHHHCHHCCHCHCHCHCHN4HClCHHHOH/rB:s1;d2;s3;s3;s5;d5;s7;d1s7;s9;s2;s11;s11;s11;s14;s14;s14;s17;s17;s17;s20;s20;s22;s22;s22;;s26;s26;s26;s29;s30;d30;s32;s32;s34;d34;s36;d29s36;s38;s1s20s26;s40;;;s43;s43;s43;s43;s47;/rC:-2.5444,2.6689,14.6838;-2.1065,3.9106,14.2155;-1.7378,3.9668,12.8664;-1.4295,4.7917,12.51;-1.8063,2.8656,12.0339;-1.5478,2.9426,11.123;-2.2505,1.6521,12.5254;-2.3022,.893,11.9565;-2.6205,1.5559,13.8609;-2.9258,.727,14.2105;-1.9973,5.1617,15.0563;-2.9036,5.4095,15.3681;-1.669,5.8978,14.4813;-1.0816,5.0537,16.2715;-.2312,4.6287,15.9955;-.8717,5.9648,16.5969;-1.6875,4.2485,17.415;-1.1029,4.3477,18.2078;-2.5651,4.6459,17.6431;-1.8901,2.7637,17.1555;-2.2203,2.3682,18.0125;-.6106,2.0221,16.8027;-.2375,2.39,15.9746;-.8085,1.0705,16.6774;.039,2.1278,17.5289;-4.3137,3.0226,16.4553;-4.5629,2.714,17.3624;-4.2507,4.0103,16.4783;-5.3946,2.6222,15.4865;-5.8213,1.2998,15.3741;-5.4307,.6285,15.9212;-6.8118,.9606,14.4686;-7.0797,.0533,14.3815;-7.416,1.9332,13.6879;-8.0963,1.6947,13.0692;-7.0225,3.2547,13.8148;-7.4458,3.928,13.2952;-6.0071,3.5974,14.7033;-5.73,4.5032,14.7759;-2.9509,2.4465,16.0918;-3.0681,1.5259,16.1532;-3.134,-.5651,16.7943;-4.1387,.1056,20.4394;-3.428,-.5505,20.2816;-4.9701,-.3614,20.6653;-3.8822,.6931,21.1805;-4.3343,.8772,19.2729;-4.0691,.4448,18.6034;