* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/83/01/2008lsh092.mol"
Structure: 1
InChI=1/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5,9H,1H3/q-3
AuxInfo=1/0/N:12,2,9,4,7,11,1,6,16,18,19,20,21/E:(2,3)(4,5)(12,13)/CRV:10.4,11-1.2,12-1.2,13-1/rA:21nCCHCHCCHCHCCHHHNHN4O2-O2-O-/rB:d1;s2;s2;s4;d4;s6;s7;s1d7;s9;;s11;s12;s12;s12;s1s11;s16;s6;d11;d18;s18;/rC:-2.404,7.154,-7.762;-2.678,8.429,-8.359;-3.083,9.117,-7.846;-2.352,8.655,-9.668;-2.559,9.491,-10.07;-1.712,7.654,-10.423;-1.435,6.395,-9.858;-1.016,5.717,-10.375;-1.779,6.159,-8.54;-1.591,5.312,-8.151;-3.331,7.605,-5.463;-3.573,6.891,-4.123;-2.852,7.118,-3.499;-3.585,5.922,-4.268;-4.431,7.178,-3.75;-2.743,6.838,-6.438;-2.547,6.016,-6.193;-1.315,7.934,-11.833;-3.617,8.805,-5.649;-1.711,8.976,-12.358;-.629,7.064,-12.41;