* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/97/01/2008lsh087.mol"
Structure: 1
InChI=1/C11H15NO/c1-8(2)10-4-6-11(7-5-10)12-9(3)13/h4-8H,1-3H3,(H,12,13)
AuxInfo=1/1/N:18,22,12,4,7,2,9,16,11,6,1,26,27/E:(1,2)(4,5)(6,7)/rA:28nCCHCHCCHCHCCHHHCHCHHHCHHHNOH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s6;s16;s16;s18;s18;s18;s16;s22;s22;s22;s1s11;d11;s26;/rC:8.9832,8.8868,.8696;9.2335,7.8449,-.0229;8.5949,7.151,-.1375;10.421,7.8263,-.7439;10.5816,7.1092,-1.346;11.3836,8.8238,-.613;11.1333,9.8334,.3137;11.7821,10.5147,.4454;9.9583,9.8654,1.0476;9.8164,10.5616,1.6782;6.7812,8.1372,1.7689;5.6078,8.6118,2.5748;4.7936,8.5521,2.0327;5.7524,9.5425,2.8455;5.511,8.0509,3.3725;12.6033,8.8837,-1.5192;13.247,9.5372,-1.1211;13.3237,7.5443,-1.6549;13.5673,7.2129,-.7654;14.1344,7.6625,-2.1927;12.732,6.898,-2.0936;12.1899,9.4145,-2.8934;11.5454,8.7988,-3.301;12.9809,9.4864,-3.4673;11.7784,10.2981,-2.792;7.7746,9.0388,1.5922;6.8235,6.9892,1.3117;7.6432,9.823,1.9348;