* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/85/01/2008lsh002.mol"
Structure: 1
InChI=1/C12H17NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3,(H,13,14)
AuxInfo=1/1/N:12,17,21,25,4,7,2,9,11,6,1,16,29,30/E:(2,3,4)(5,6)(7,8)/rA:31nCCHCHCCHCHCCHHHCCHHHCHHHCHHHNOH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s6;s16;s17;s17;s17;s16;s21;s21;s21;s16;s25;s25;s25;s1s11;d11;s29;/rC:6.0477,.7663,.704;5.6144,1.7141,-.217;6.1147,2.5122,-.3402;4.465,1.5083,-.9546;4.1856,2.1719,-1.5744;3.7014,.3415,-.8088;4.1282,-.5723,.1453;3.6143,-1.3583,.2892;5.2861,-.377,.9008;5.5509,-1.0226,1.5454;8.1149,.1484,1.939;9.3985,.7407,2.4489;9.7804,.1526,3.1335;9.2197,1.6221,2.8382;10.0326,.8337,1.7075;2.4945,.1087,-1.7206;2.9945,.0271,-3.1808;2.2315,-.1105,-3.7802;3.6198,-.7222,-3.2707;3.4493,.8623,-3.4175;1.5213,1.2757,-1.6091;1.1941,1.3414,-.6877;.7648,1.1292,-2.2147;1.9789,2.1072,-1.8533;1.7657,-1.1957,-1.4131;1.4184,-1.1678,-.4971;2.3883,-1.947,-1.5036;1.022,-1.3103,-2.0411;7.2596,1.0389,1.389;7.8743,-1.0567,2.0023;7.523,1.8695,1.3483;