* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/11/33/01/04src0772.mol"
Structure: 1
InChI=1/2C17H20NO.2ClH.Zr/c2*1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;;;/h2*4-11,19H,12H2,1-3H3;2*1H;/q2*-1;;;+6/p-4
AuxInfo=1/1/N:13,17,21,30,28,32,6,4,26,34,8,1,3,25,10,11,12,71,73;48,52,56,65,63,67,41,39,61,69,43,36,38,60,45,46,47,72,74;75;76;77/E:2*(1,2,3)(5,6)(9,10);;;/CRV:2*18-1;;;/rA:77nCHCCHCHCHCCCCHHHCHHHCHHHCCHCHCHCHCHCHCCHCHCHCCCCHHHCHHHCHHHCCHCHCHCHCHNNOOClClZr/rB:s1;s1;s3;s4;d4;s6;s6;s8;d8;d3s10;s10;s12;s13;s13;s13;s12;s17;s17;s17;s12;s21;s21;s21;;d25;s26;s26;s28;d28;s30;s30;s32;s25d32;s34;;s36;s36;d38;s39;s39;s41;d41;s43;s43;s38d45;s45;s47;s48;s48;s48;s47;s52;s52;s52;s47;s56;s56;s56;;d60;s61;s61;s63;d63;s65;s65;s67;s60d67;s69;s1s25;s36s60;s11;s46;;;s71s72s73s74s75s76;/rC:5.4969,3.4013,5.1248;4.6527,3.5975,5.5136;5.8219,2.0101,4.9929;4.8953,1.0829,5.4821;4.0559,1.3777,5.8153;5.2047,-.2567,5.4785;4.5646,-.8961,5.7683;6.4461,-.6646,5.053;6.653,-1.5905,5.102;7.4253,.2038,4.5509;7.059,1.5733,4.4654;8.8208,-.2689,4.1487;9.9063,.5224,4.9078;9.8039,1.479,4.7212;10.7928,.2253,4.6139;9.8118,.3655,5.8705;9.0354,-1.7533,4.4997;8.9324,-1.8787,5.4661;9.9371,-2.0258,4.2292;8.3734,-2.2998,4.0269;9.0148,-.1172,2.6277;8.2999,-.5954,2.1579;9.8828,-.4922,2.3701;8.985,.8325,2.3877;5.6551,5.7272,5.0455;4.3407,6.0044,4.7016;3.7866,5.3283,4.3295;3.845,7.2902,4.9103;2.9476,7.4978,4.6774;4.6634,8.2656,5.4583;4.3294,9.146,5.5846;5.9548,7.9668,5.8198;6.5017,8.6358,6.2146;6.4631,6.6974,5.6121;7.3583,6.4934,5.856;5.4664,5.3658,1.5906;4.6394,5.1807,1.1613;5.8133,6.759,1.7042;4.8916,7.6904,1.217;4.0583,7.4001,.8652;5.2006,9.0314,1.2508;4.5601,9.6792,.9813;6.4631,9.4271,1.6848;6.6773,10.3523,1.6597;7.4288,8.5399,2.1539;7.0397,7.1837,2.2397;8.8428,9.0077,2.5226;9.8876,8.1861,1.7602;9.7798,7.2369,1.9787;10.7862,8.4806,2.0176;9.7651,8.3154,.7965;9.0631,10.4795,2.1662;8.8598,10.62,1.2179;9.9969,10.7213,2.3394;8.4738,11.0398,2.7132;9.0618,8.8598,4.0398;8.3759,9.3691,4.5201;9.9489,9.2023,4.2768;8.9999,7.9138,4.2881;5.4816,3.0643,1.8093;6.2231,1.9725,1.3634;7.133,2.0802,1.1125;5.6189,.7273,1.2898;6.1215,-.0252,1.0005;4.2936,.5745,1.6338;3.8905,-.2845,1.5878;3.5469,1.6609,2.0448;2.6279,1.552,2.2595;4.1403,2.9135,2.1442;3.6336,3.6612,2.4387;6.2206,4.4309,4.7754;6.1347,4.329,1.9975;7.8469,2.4631,3.8947;7.8313,6.2814,2.8203;9.6803,4.8989,5.0812;9.5035,3.8082,1.4797;8.064,4.3732,3.3446;