* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/10/47/01/2009src0712r.mol"
Structure: 1
InChI=1/C25H24BO2P.BrH/c27-26(28)22-12-10-11-21(19-22)20-29(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25;/h1-19,27-29H,20H2;1H
AuxInfo=1/0/N:7,18,29,5,9,16,20,27,31,41,39,43,3,11,14,22,25,33,46,35,38,45,2,13,24,48,49,51,53;1/E:(1,2,3)(4,5,6,7,8,9)(13,14,15,16,17,18)(23,24,25)(27,28);/rA:53nBrCCHCHCHCHCHCCHCHCHCHCHCCHCHCHCHCHCHHCCHCHCHCCHBOHOHP/rB:;d2;s3;s3;s5;d5;s7;s7;s9;s2d9;s11;;s13;s14;d14;s16;s16;s18;d18;s20;d13s20;s22;;s24;s25;d25;s27;s27;s29;d29;s31;d24s31;s33;;s35;s35;s35;s38;s39;d39;s41;s41;s43;d43;d38s45;s46;s45;s48;s49;s48;s51;s2s13s24s35;/rC:8.0662,4.8847,8.1335;2.2396,7.4124,5.8652;3.0595,6.3087,5.6269;3.1399,5.9563,4.7483;3.7519,5.7315,6.6681;4.3232,4.9908,6.5021;3.6191,6.2295,7.9691;4.0967,5.8327,8.6881;2.779,7.3118,8.1937;2.6763,7.6494,9.0757;2.0936,7.9024,7.1584;1.5222,8.6427,7.3259;-.1328,7.4706,4.0599;-.631,6.3873,4.7905;-.1415,6.0491,5.5311;-1.8417,5.8049,4.4343;-2.1717,5.0591,4.9215;-2.5653,6.3108,3.3712;-3.3806,5.8969,3.1135;-2.1035,7.4237,2.6776;-2.6248,7.7893,1.9725;-.8802,8.0083,3.0088;-.56,8.7614,2.5263;1.0674,9.9381,4.9829;-.1597,10.3283,5.4836;-.8704,9.6999,5.5339;-.3596,11.6253,5.9112;-1.1968,11.8762,6.2836;.6501,12.5598,5.8008;.5015,13.4527,6.0891;1.8753,12.2026,5.2732;2.56,12.854,5.1759;2.1048,10.8849,4.8839;2.9571,10.6263,4.5533;2.5791,8.2074,3.0889;3.3885,8.7147,3.3487;2.8548,7.2664,2.9521;2.0983,8.7475,1.763;2.1187,10.1206,1.4776;2.3787,10.7385,2.1507;1.7657,10.5776,.2333;1.7588,11.5108,.056;1.419,9.6817,-.7664;1.2116,10.0103,-1.6333;1.3679,8.3053,-.5268;1.7089,7.8619,.7698;1.6706,6.9333,.9666;.9348,7.2852,-1.6553;.5091,7.7949,-2.8429;.1691,7.1815,-3.3052;.9644,5.961,-1.3499;.5645,5.5268,-1.9475;1.4173,8.2521,4.4892;