* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/69/01/2007may0010.mol"
Structure: 1
InChI=1/C10H8ClNOS/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
AuxInfo=1/0/N:11,13,9,6,15,2,5,8,1,4,21,18,19,20/rA:22nCCHCCCHCCHCHCHCHHNOSClH/rB:d1;s2;;s4;d5;s6;s6;d8;s9;s9;s11;s5d11;s13;s1;s15;s15;s1d4;s15;s2s4;s8;s19;/rC:-.4433,1.9555,5.6756;.5859,1.8883,4.7926;.577,1.3985,3.9787;.9787,3.2641,6.7723;1.5125,4.1543,7.8228;2.8548,4.5415,7.8191;3.4457,4.2307,7.1433;3.3093,5.3878,8.8196;2.4802,5.8635,9.8122;2.8152,6.4452,10.4844;1.1484,5.4781,9.8125;.5628,5.7988,10.4882;.666,4.6214,8.8243;-.2457,4.3548,8.8344;-1.7576,1.2558,5.52;-1.7204,.6622,4.7285;-1.9243,.692,6.3165;-.2197,2.7375,6.7975;-2.8294,2.1796,5.365;1.909,2.8248,5.371;4.9773,5.8851,8.8108;-3.3509,1.9979,5.9814;