* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/02/84/01/2007jmw0006.mol"
Structure: 1
InChI=1/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H,1H3,(H,12,13)
AuxInfo=1/1/N:10,9,8,14,11,20,19,18,13,15,17,4,16/E:(12,13)/rA:21nHHHOHHHCCCCHCCNONCCCH/rB:;;s2;;;;s3;s5d8;s1s6;s7s8;;s4;s9s12;;d13;s10s15;s13d15;d11s17;d14s18s19;s10;/rC:-1.3638,3.259,-.7197;4.1464,-.2646,-.1324;-3.8589,-1.0453,-.026;3.4569,.2134,-.0941;-2.4092,-2.8653,-.0397;-.028,3.7003,.0434;-3.0576,1.1531,.0017;-2.9221,-.8877,-.0188;-2.0487,-1.9867,-.0228;-.7895,3.0835,.0549;-2.4661,.4098,-.0048;-.088,-2.568,.0081;2.4206,-.5374,.0038;-.6741,-1.8205,-.0027;1.0067,1.4428,-.0076;2.4595,-1.795,.109;-.3039,1.7116,-.0017;1.1131,.1061,-.0156;-1.0753,.5655,-.0007;-.1772,-.5054,.0011;-1.3035,3.2143,.879;