* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/28/01/01src265.mol" Structure: 1 InChI=1/C7H8N2O.C3H3F2I/c10-6-9-5-7-2-1-3-8-4-7;4-1-3(6)2-5/h1-4,6H,5H2,(H,9,10);1H,2H2/b;3-1- AuxInfo=1/1/N:16,14,18,11,20,23,13,7,9,8;6,5,4,2,3,1/rA:23nIFFCCCNONHCHCCHCHCHCHHC/rB:;;s1;s3s4;s2d4;;;;s9;d7;s11;s11;d13;s14;s14;s16;s7d16;s18;s9s13;s20;s20;d8s9;/rC:.7084,2.0237,2.7699;-1.2251,-.4991,3.1262;.0177,3.2973,5.6668;-.55,1.4204,4.3421;-.7126,2.178,5.492;-1.315,.2714,4.2255;2.2569,2.5825,.4119;.7239,4.1445,-4.1404;2.9506,4.5328,-3.9264;3.7245,4.5568,-4.3445;2.1881,3.573,-.4799;1.5502,4.2618,-.3345;2.9894,3.6557,-1.6015;3.8936,2.6356,-1.8233;4.4592,2.651,-2.5864;3.9644,1.5914,-.9192;4.5761,.8771,-1.0537;3.1323,1.6037,.1813;3.1854,.8851,.8003;2.9042,4.8627,-2.5053;2.0605,5.3449,-2.3162;3.6539,5.4739,-2.2942;1.8642,4.1983,-4.6064;