* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/13/65/01/2008lsh117.mol"
Structure: 1
InChI=1/C9H8N2O/c1-7(12)11-9-5-3-2-4-8(9)6-10/h2-5H,1H3,(H,11,12)
AuxInfo=1/1/N:12,5,7,3,9,16,11,2,1,18,17,19/rA:20nCCCHCHCHCHCCHHHCNNOH/rB:s1;d2;s3;s3;s5;d5;s7;d1s7;s9;;s11;s12;s12;s12;s2;s1s11;t16;d11;s17;/rC:-.5571,4.9146,6.6134;-.3134,3.575,6.2657;-.605,3.1024,4.9833;-.4379,2.1939,4.7617;-1.135,3.9561,4.0411;-1.3315,3.6412,3.1666;-1.3809,5.2854,4.3807;-1.743,5.8747,3.7295;-1.1058,5.7616,5.6527;-1.2918,6.6675,5.8701;.2508,6.5808,8.2489;.5028,6.7775,9.7234;1.4187,7.0991,9.8583;.3837,5.9249,10.1918;-.1302,7.4362,10.078;.2796,2.6811,7.228;-.2664,5.3525,7.9214;.7638,1.9622,7.9849;.4911,7.4425,7.4194;-.3366,4.7181,8.529;