* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/68/01/2009lsh008.mol"
Structure: 1
InChI=1/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
AuxInfo=1/1/N:12,5,7,3,9,11,2,1,18,16,17/rA:19nCCCHCHCHCHCCHHHNOClH/rB:s1;d2;s3;s3;s5;d5;s7;d1s7;s9;;s11;s12;s12;s12;s1s11;d11;s2;s16;/rC:10.2583,-.1493,10.1241;10.9774,.6297,11.0255;12.3307,.4311,11.2538;12.799,.9813,11.8707;12.9915,-.5753,10.5748;13.9149,-.7307,10.7346;12.3024,-1.3585,9.6586;12.7582,-2.046,9.1874;10.9475,-1.1418,9.4271;10.4879,-1.6745,8.7888;7.9442,-.851,9.6767;6.5648,-.3327,9.3778;6.4855,-.1493,8.4184;6.4097,.4931,9.8822;5.9001,-1.0042,9.6381;8.8816,.1017,9.9047;8.1986,-2.0495,9.6904;10.1759,1.8821,11.9309;8.5914,.9248,9.9218;