* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/24/01/2009sjc0001.mol"
Structure: 1
InChI=1/C12H6N4/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H
AuxInfo=1/0/N:4,15,6,17,2,13,9,20,8,19,1,12,11,22,10,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:22nCCHCHCHCCNNCCHCHCHCCNN/rB:d1;s2;s2;s4;d4;s6;s6;s8;s1d8;t9;s1;d12;s13;s13;s15;d15;s17;s17;s19;s12d19;t20;/rC:-.088,4.422,5.998;-.454,3.132,6.401;-.834,2.986,7.259;-.257,2.07,5.532;-.507,1.189,5.784;.313,2.313,4.287;.46,1.611,3.665;.661,3.629,3.989;1.297,3.942,2.722;.469,4.681,4.802;1.827,4.182,1.731;-.299,5.599,6.89;.068,6.889,6.487;.448,7.035,5.628;-.13,7.95,7.355;.12,8.832,7.104;-.7,7.707,8.6;-.846,8.41,9.223;-1.047,6.392,8.898;-1.684,6.079,10.166;-.855,5.34,8.085;-2.214,5.839,11.156;