* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/18/01/2008src1000nd.mol"
Structure: 1
InChI=1/C27H36BF2N2.ClH/c1-17(2)21-11-9-12-22(18(3)4)25(21)31-15-16-32(27(31)28(29)30)26-23(19(5)6)13-10-14-24(26)20(7)8;/h9-20H,1-8H3;1H
AuxInfo=1/0/N:12,16,22,26,48,52,58,62,5,41,7,3,43,39,31,66,10,20,46,56,9,2,45,38,1,37,30,34,35,36,33,68;69/E:(1,2,3,4,5,6,7,8)(9,10)(11,12,13,14)(15,16)(17,18,19,20)(21,22,23,24)(25,26)(29,30)(31,32);/CRV:32.4;/rA:69nCCCHCHCHCCHCHHHCHHHCHCHHHCHHHCCHNBFFCCCHCHCHCCHCHHHCHHHCHCHHHCHHHCHN4Cl/rB:d1;s2;s3;d3;s5;s5;s7;s1d7;s9;s10;s10;s12;s12;s12;s10;s16;s16;s16;s2;s20;s20;s22;s22;s22;s20;s26;s26;s26;;;s31;s1s30s31;s30;s34;s34;;d37;s38;s39;d39;s41;s41;s43;s37d43;s45;s46;s46;s48;s48;s48;s46;s52;s52;s52;s38;s56;s56;s58;s58;s58;s56;s62;s62;s62;d31;s66;d30s37s66;;/rC:4.487,1.593,5.794;3.882,1.705,7.028;4.739,1.929,8.123;4.374,2.024,8.995;6.098,2.012,7.942;6.665,2.145,8.692;6.643,1.907,6.69;7.584,1.978,6.584;5.847,1.698,5.579;6.448,1.591,4.175;5.69,1.599,3.522;7.186,.258,4.006;7.911,.2,4.663;7.559,.202,3.102;6.559,-.483,4.147;7.341,2.802,3.863;6.832,3.627,4.004;7.639,2.757,2.931;8.121,2.794,4.457;2.375,1.582,7.252;1.929,1.72,6.368;1.815,2.593,8.201;2.281,2.529,9.06;.859,2.422,8.333;1.937,3.492,7.829;2.033,.134,7.726;2.496,-.051,8.571;2.325,-.511,7.047;1.065,.054,7.86;3.015,2.059,3.789;3.412,-.087,4.331;3.755,-.849,4.783;3.63,1.224,4.662;2.808,3.67,3.919;2.634,4.155,2.586;4.097,4.188,4.291;1.543,1.593,1.784;2.148,1.705,.55;1.291,1.929,-.546;1.656,2.024,-1.417;-.069,2.012,-.364;-.636,2.145,-1.114;-.613,1.907,.888;-1.555,1.978,.994;.182,1.698,1.999;-.419,1.591,3.402;.339,1.599,4.056;-1.156,.258,3.572;-1.881,.2,2.914;-1.529,.202,4.475;-.529,-.483,3.431;-1.312,2.802,3.715;-.802,3.627,3.574;-1.61,2.757,4.647;-2.091,2.794,3.121;3.654,1.582,.326;4.101,1.72,1.209;4.214,2.593,-.623;3.749,2.529,-1.482;5.17,2.422,-.755;4.092,3.492,-.252;3.996,.134,-.149;3.534,-.051,-.993;3.705,-.511,.53;4.964,.054,-.282;2.618,-.087,3.246;2.275,-.849,2.795;2.4,1.224,2.916;1.605,4.221,4.997;