* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/10/36/01/94SRC214.mol"
Structure: 1
InChI=1/C6H7Br2NO/c1-5(4(10)2-9)3-6(5,7)8/h4,10H,3H2,1H3/t4-,5-/m0/s1
AuxInfo=1/0/N:13,5,9,6,17,12,1,2,8,3/E:(7,8)/it:im/rA:17nBrBrOHCCHNCHHCCHHHC/rB:;;s3;;s3s5;s6;t5;;s9;s9;s1s2s9;;s13;s13;s13;s6s9s12s13;/rC:2.4075,.9325,8.9587;2.7914,3.7539,10.3332;-1.1185,1.637,9.094;-1.6555,1.0471,8.831;-1.2907,2.7219,6.9545;-.405,2.1462,7.9933;.1243,1.4026,7.5847;-1.9651,3.1844,6.1536;1.7641,3.4844,7.5919;1.8663,2.9387,6.7722;2.084,4.4181,7.5148;1.9244,2.797,8.9143;-.1553,4.3797,9.1543;-.622,4.0529,9.9517;-.8041,4.7741,8.5347;.5014,5.0587,9.4155;.5576,3.2199,8.4724;