* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/98/01/2008lsh161.mol"
Structure: 1
InChI=1/C10H13NO/c1-3-9-4-6-10(7-5-9)11-8(2)12/h4-7,11H,3H2,1-2H3/q-1
AuxInfo=1/0/N:22,12,19,4,7,2,9,11,6,1,16,18/E:(4,5)(6,7)/CRV:12-1.2/rA:25nCCHCHCCHCHCCHHHNHO2-CHHCHHH/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s1s11;s16;d11;s6;s19;s19;s19;s22;s22;s22;/rC:.677,1.955,5.743;.209,2.482,6.945;.518,2.133,7.772;-.71,3.521,6.927;-1.024,3.868,7.753;-1.185,4.069,5.745;-.71,3.522,4.557;-1.023,3.873,3.731;.209,2.48,4.544;.515,2.127,3.718;2.136,.164,6.696;3.102,-.912,6.277;4.017,-.625,6.478;3.014,-1.074,5.315;2.904,-1.737,6.768;1.619,.899,5.745;1.919,.695,4.943;1.854,.34,7.884;-2.135,5.239,5.743;-2.717,5.186,6.542;-2.715,5.186,4.942;-1.405,6.577,5.745;-.852,6.648,6.551;-2.06,7.306,5.735;-.835,6.639,4.95;