* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/11/01/2008src0131.mol"
Structure: 1
InChI=1/C14H19NS2/c1-3-4-5-6-7-12-8-9-16-13(12)14-15-11(2)10-17-14/h8-10H,3-7H2,1-2H3
AuxInfo=1/0/N:27,1,24,21,18,15,12,9,7,4,3,11,6,5,31,33,32/rA:33nCHCCCCCHCHCCHHCHHCHHCHHCHHCHHHNSS/rB:s1;s1;d3;;s5;;s7;d7;s9;d6s9;s11;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s27;s27;s27;s3d5;s4s5;s6s7;/rC:4.0535,-.3506,-1.3876;4.091,-.5904,-2.3067;3.5433,.876,-.9843;3.4852,1.2129,.3962;2.6664,2.9063,-1.178;2.1528,4.0927,-1.8155;1.4943,5.6891,-3.571;1.2869,6.166,-4.3652;1.3347,6.1925,-2.3191;1.0126,7.0704,-2.1518;1.691,5.2936,-1.2872;1.5908,5.6113,.1867;2.4933,5.5408,.5864;1.0191,4.9275,.6181;1.0219,6.9944,.5089;.0888,7.0475,.1831;1.5512,7.6828,.0335;1.0479,7.2883,2.0109;.5607,6.5743,2.4934;1.986,7.2864,2.3296;.4089,8.6412,2.3314;-.573,8.5634,2.2345;.7242,9.3094,1.6711;.7313,9.1483,3.7454;1.7062,9.3085,3.807;.2765,10.017,3.8792;.33,8.2229,4.8494;-.6076,7.962,4.7332;.4372,8.6769,5.7123;.8965,7.4237,4.8283;3.077,1.8628,-1.8401;2.8124,2.7931,.5777;2.1078,4.1018,-3.5473;