* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/49/01/2009src0002r.mol"
Structure: 1
InChI=1/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19/h5-8H,9-13H2,1-4H3
AuxInfo=1/0/N:15,27,23,37,1,10,5,3,20,34,31,41,12,8,7,9,19,44,45,46,47,48/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(16,17)(21,22)/rA:48nCHCHCHCCCCHCHHCHHHCCHHCHHHCHHHCHHCHHCHHHCHHBNOOO/rB:s1;;s3;s1;s5;s3d5;d1;;d3s8;s10;s8;s12;s12;s9;s15;s15;s15;s9;;s20;s20;s19;s23;s23;s23;s9;s27;s27;s27;s20;s31;s31;;s34;s34;s19;s37;s37;s37;s34;s41;s41;s7;s12s20s34;s31s41;s9s44;s19s44;/rC:-.3919,-1.0211,2.0173;-1.31,-1.2667,2.0132;2.254,-.274,2.059;3.1699,-.0233,2.0569;.1036,-.2701,3.0833;-.4797,-.022,3.7911;1.4406,.1202,3.127;.4128,-1.4166,.9743;2.0967,2.3614,6.0707;1.7506,-1.0237,1.0055;2.3271,-1.2731,.2935;-.1421,-2.1714,-.2124;-1.0119,-2.5747,.0375;-.3022,-1.5381,-.9556;1.8484,3.7509,5.5024;2.1154,3.7715,4.5593;2.3744,4.4088,6.0041;.8961,3.9693,5.5773;3.5051,1.8328,5.7585;.3495,-3.7483,-1.9819;.3382,-3.0167,-2.6481;-.561,-4.1322,-1.9237;3.9284,.6566,6.6308;3.2154,-.0155,6.6433;4.0957,.972,7.5447;4.7467,.2585,6.2685;1.6986,2.3201,7.5343;.7911,2.6768,7.6363;2.3233,2.8642,8.0589;1.7239,1.3946,7.8528;1.3322,-4.8107,-2.3983;1.0673,-5.1713,-3.281;2.2308,-4.4049,-2.492;.7945,-4.3196,.2873;-.1081,-4.7177,.3727;1.0669,-3.9783,1.1742;4.5886,2.8823,5.7043;5.4438,2.4584,5.4816;4.6603,3.3243,6.5766;4.3658,3.5466,5.0194;1.7605,-5.3613,-.1707;2.669,-4.9697,-.2165;1.7803,-6.1019,.4851;2.0099,.9552,4.3012;.7586,-3.2248,-.6683;1.3944,-5.8719,-1.4584;1.2394,1.4373,5.3238;3.3269,1.2744,4.4038;