* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/50/01/2008src0504.mol"
Structure: 1
InChI=1/C27H35O9PS2.2H2O/c1-31-19-11-7-12-20(32-2)25(19)37(17-10-18-38-39(28,29)30,26-21(33-3)13-8-14-22(26)34-4)27-23(35-5)15-9-16-24(27)36-6;;/h7-9,11-16,37H,10,17-18H2,1-6H3,(H,28,29,30);2*1H2
AuxInfo=1/1/N:12,23,29,40,46,57,18,35,52,4,16,20,33,37,50,54,1,7,11,22,28,39,45,56,10,27,44,61,62,63,64,65,66,67,68,69,73,71,72;70;74/E:(1,2,3,4,5,6)(7,8,9)(11,12,13,14,15,16)(19,20,21,22,23,24)(25,26,27)(28,29,30)(31,32,33,34,35,36);;/CRV:39.6;;/rA:76nCHHCHHCHHCCCHHHCHCHCHCCHHHCCCHHHCHCHCHCCHHHCCCHHHCHCHCHCCHHHOOOOOOOOOOSSPOHH/rB:s1;s1;s1;s4;s4;s4;s7;s7;;s10;;s12;s12;s12;d11;s16;s16;s18;d18;s20;d10s20;;s23;s23;s23;;s27;;s29;s29;s29;d28;s33;s33;s35;d35;s37;d27s37;;s40;s40;s40;;d44;;s46;s46;s46;s45;s50;d50;s52;s52;s54;s44d54;;s57;s57;s57;;;;s11s12;s22s23;s28s29;s39s40;s45s46;s56s57;;s7;s61d62d63s71;s1s10s27s44;;s70;s70;/rC:3.4305,.6704,7.4293;4.2339,1.2471,7.3817;3.7099,-.218,7.7651;2.8263,.521,6.0324;2.1772,-.2265,6.0395;2.3329,1.3483,5.8037;3.875,.2572,4.9633;4.467,1.0489,4.9099;3.413,.1752,4.0916;.6802,.5655,8.1603;.6593,-.8315,8.348;1.8156,-2.7303,9.2472;1.1319,-2.8924,9.9303;2.6983,-2.9555,9.6087;1.632,-3.2879,8.4625;-.4584,-1.5787,8.003;-.4755,-2.5181,8.1438;-1.5455,-.9294,7.4508;-2.3146,-1.4365,7.2186;-1.5502,.4309,7.2259;-2.3129,.8519,6.8469;-.4263,1.1811,7.5596;-1.5445,3.1993,6.9452;-1.8127,2.9492,6.0364;-1.3903,4.1662,6.9858;-2.2549,2.9551,7.5744;2.0939,3.1909,8.4222;1.1714,3.803,9.2873;-.6403,3.4224,10.8016;-.3327,4.1053,11.4337;-1.0548,2.6839,11.2948;-1.297,3.8159,10.1898;1.0289,5.1803,9.3358;.387,5.5845,9.9077;1.8481,5.9521,8.5277;1.7698,6.8982,8.5647;2.7712,5.394,7.6734;3.3242,5.9499,7.1371;2.8892,4.005,7.6006;4.6735,4.173,6.0222;4.1947,4.7759,5.4158;5.2632,3.5877,5.5026;5.2085,4.7002,6.6518;2.7977,1.1288,10.2697;4.0861,1.6151,10.5721;5.9928,2.8548,9.7755;5.9148,3.5418,10.47;6.3112,3.265,8.9444;6.6289,2.168,10.0655;4.6361,1.442,11.8407;5.4953,1.79,12.0487;3.9056,.7539,12.7888;4.2897,.6021,13.6443;2.6346,.2794,12.5328;2.1583,-.1973,13.2024;2.0543,.5047,11.2836;.0144,-.5223,11.9743;.4708,-1.3545,12.2184;-.8711,-.7303,11.6096;-.0841,.0416,12.7697;2.5891,-2.8132,5.7276;2.9821,-2.3134,3.4025;4.4335,-3.8777,4.5623;1.7933,-1.349,8.8673;-.3381,2.5079,7.2947;.4729,2.9301,10.0532;3.731,3.3785,6.7466;4.7103,2.2542,9.5512;.7794,.1682,10.9959;1.2541,-5.1919,6.7282;4.9133,-1.2101,5.1923;3.5645,-2.7331,4.6616;2.2281,1.4005,8.5762;4.4553,-3.3192,8.1608;1.7964,-4.5644,6.4529;1.6754,-5.5941,7.3275;