* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/41/01/2008lsh011.mol" Structure: 1 InChI=1/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5,9H,1H3/q-3 AuxInfo=1/0/N:12,4,2,6,9,11,1,8,16,18,19,20,21/E:(12,13)/CRV:10.4,11-1.2,12-1.2,13-1/rA:21nCCHCHCHCCHCCHHHNHN4O2-O2-O-/rB:d1;s2;s2;s4;d4;s6;s6;s1d8;s9;;s11;s12;s12;s12;s1s11;s16;s8;d11;d18;s18;/rC:2.025,17.351,1.474;.758,17.903,1.742;-.006,17.34,1.79;.627,19.264,1.935;-.236,19.626,2.098;1.708,20.109,1.899;1.608,21.046,2.019;2.947,19.541,1.68;3.142,18.187,1.454;4.011,17.839,1.29;1.374,14.993,1.014;1.971,13.639,.734;1.94,13.093,1.548;2.901,13.745,.446;1.458,13.196,.025;2.268,15.992,1.212;3.116,15.758,1.171;4.128,20.414,1.663;.156,15.175,1.049;3.964,21.624,1.877;5.23,19.92,1.442;