* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/91/01/2008src0842.mol"
Structure: 1
InChI=1/C21H19NO5S/c1-2-26-19(25)21-11-10-20(27-21,14-9-6-12-28-14)15-16(21)18(24)22(17(15)23)13-7-4-3-5-8-13/h3-9,12,15-16H,2,10-11H2,1H3/q-3/t15-,16+,20+,21+/m1/s1
AuxInfo=1/0/N:19,16,28,26,30,44,24,32,46,8,11,42,23,41,5,3,1,2,15,7,14,34,35,36,38,39,37,40/E:(4,5)(7,8)/it:im/CRV:23-1.2,24-1.2,25-1.2/rA:47nCCCHCHCCHHCHHCCCHHCHHHCCHCHCHCHCHNO2-O2-OO2-OSCCHCHCH/rB:;s2;s3;s1s3;s5;s5;s7;s8;s8;s8;s11;s11;s3s11;s14;;s16;s16;s16;s19;s19;s19;;d23;s24;s24;s26;d26;s28;s28;s30;s23d30;s32;s1s2s23;d1;d2;s7s14;d15;s15s16;;s7s40;s40;s42;d42;s44;d41s44;s46;/rC:-1.976,5.055,4.832;-2.867,6.992,3.901;-3.463,5.85,3.1;-4.462,5.839,3.139;-2.842,4.576,3.691;-3.54,3.929,3.998;-2.032,4.024,2.471;-3.05,3.426,1.471;-3.727,2.871,1.932;-2.6,2.884,.776;-3.681,4.709,.871;-3.518,4.771,-.104;-4.655,4.748,1.043;-2.928,5.81,1.64;-2.85,7.156,.953;-4.172,8.927,.104;-3.655,8.963,-.74;-3.799,9.598,.729;-5.615,9.217,-.162;-5.977,8.542,-.773;-5.7,10.105,-.569;-6.114,9.195,.681;-1.295,7.245,5.823;.058,7.017,6.013;.502,6.329,5.531;.753,7.805,6.914;1.677,7.643,7.064;.114,8.827,7.6;.604,9.381,8.195;-1.241,9.034,7.411;-1.682,9.728,7.887;-1.961,8.234,6.531;-2.895,8.362,6.417;-2.024,6.454,4.873;-1.345,4.379,5.613;-3.074,8.173,3.729;-1.614,5.249,1.818;-1.839,7.75,.693;-4.088,7.588,.692;.719,3.819,2.95;-.86,3.165,2.797;1.268,2.499,3.424;2.189,2.485,3.653;.596,1.321,3.563;.895,.457,3.819;-.858,1.857,3.159;-1.638,1.316,3.172;