* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/71/01/2008lsh011.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:12,7,9,5,2,11,1,4,16,17,18,19,20/E:(12,13)/CRV:10.4,11-1.2,12-1.2,13-1/rA:21nCCHCCHCHCHCCHHHNN4O2-O2-O-H/rB:d1;s2;s2;d4;s5;s5;s7;s1d7;s9;;s11;s12;s12;s12;s1s11;s4;d11;d17;s17;s16;/rC:.165,4.627,7.779;1.408,5.277,7.77;2.211,4.797,7.604;1.429,6.626,8.008;.306,7.399,8.266;.366,8.336,8.415;-.92,6.727,8.296;-1.716,7.209,8.483;-.98,5.374,8.057;-1.824,4.937,8.082;.929,2.3,7.308;.378,.948,6.961;.912,.554,6.241;-.551,1.04,6.666;.414,.368,7.75;-.016,3.268,7.471;2.739,7.321,7.975;2.134,2.516,7.438;3.733,6.652,7.747;2.756,8.524,8.186;-.844,3.028,7.44;