* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/92/01/97SRC241.mol" Structure: 1 InChI=1/2C28H20O8/c2*1-26-23-16(19(29)12-8-4-6-10-14(12)33-23)21(35-26)18-22-17-20(30)13-9-5-7-11-15(13)34-24(17)27(2,36-22)28(18,26)25(31)32-3/h2*4-11,18,21-22H,1-3H3/t2*18-,21-,22-,26+,27+,28-/m11/s1 AuxInfo=1/0/N:73,99,105,103,95,44,87,71,33,57,77,49,24,40,70,31,27,17,60,50,61,36,20,54,28,47,59,23,11,21,13,7,3,1,8,5;79,91,109,63,68,85,66,55,38,41,52,25,22,48,51,46,35,89,43,32,83,97,14,26,65,30,19,29,9,12,15,16,6,4,10,2/E:2*(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20)(21,22)(23,24)(26,27)(29,30)(33,34)(35,36)/it:2*18-,21+,22+,26-,27-,28-/iN:99,73,105,95,103,87,44,33,71,77,57,24,49,70,40,27,31,17,50,60,36,61,54,20,28,59,47,23,21,11,13,7,1,3,5,8;91,79,109,68,63,66,85,38,55,52,41,22,25,51,48,35,46,89,32,43,97,83,26,14,65,19,30,29,12,9,15,16,4,6,2,10/rA:112nOOOOOOOOOOOOOCOOCHCCOCCCCCCCCCCCCHCCHCHCCHCCHCCCCCCCHCCHCHCCCHCHCCHCHCCHCHHHCHCHHHCHCHCHCHCHHHCHCHCHHHCHCHHHCHHH/rB:;;;;;;;;;;;;s6;;;;s17;s2;s3;;;s17;;;s4s19;;s7d13s23;s19;s10s14s29;d20;d12s22;d24;s33;d26s32;s5s17s27;s36;s22;s38;s3;;s41;d9s25;;s44;d14s43;s8s20s23;s6s25d41;d40;d21s24s27;s4d22;s51;s52;s1d27;d25;s55;s40d44;s57;s5s23s54;d11s31s49;s8s17s31;s61;s55;s63;d15s16s29;d52;s66;d38s66;s68;s1s24;s49;s71;s47;s73;s73;s73;d70;s77;s30;s79;s79;s79;s10s46;s83;s41d63;s85;s77;s87;s29s83;s89;s19;s91;s91;s91;s33d87;s95;s2s35s89;s97;s59;s99;s99;s99;s44d71;s103;s7;s105;s105;s105;s16;s109;s109;s109;/rC:7.4138,.832,3.7403;2.6376,4.4002,4.4119;4.1183,-.7032,8.5382;.8621,3.8373,7.3485;6.601,-1.3193,6.3867;1.4643,6.0177,1.7302;4.5355,1.4073,4.0424;2.8588,-1.8923,5.5193;5.5558,5.6357,2.2261;2.5727,8.2491,4.1686;5.3369,-4.6111,8.0029;4.9582,3.9246,8.1088;4.129,-.4245,2.8154;2.1862,6.5836,2.7242;1.361,7.9073,7.0387;-.2892,6.492,6.4441;5.0425,-2.1364,4.8685;4.9284,-2.3573,3.8999;1.4425,4.84,5.1092;3.9438,-1.3855,7.3903;8.1096,-3.0895,2.6485;2.7247,3.3654,8.837;4.7627,-.6353,5.113;8.3733,-.7684,2.1786;3.5979,5.308,.8624;1.7897,4.2574,6.4687;7.3165,-1.5259,4.1934;4.4229,.0918,3.8649;1.6928,6.3368,5.2059;1.5084,7.2633,3.8961;4.2277,-2.6589,7.1888;3.7443,3.9065,7.8564;9.0507,-.972,.9833;9.2596,-1.8517,.6918;3.1251,4.3127,6.6435;6.5451,-2.2513,5.2769;6.8628,-3.1774,5.4804;3.1315,2.8337,10.0539;4.0564,2.8433,10.2709;4.5566,-1.4613,9.6184;1.5395,4.944,-.3673;.595,5.0337,-.417;4.3378,5.8322,2.0104;5.0216,-1.4959,11.9618;5.0457,-1.0567,12.8039;3.4907,6.5611,2.8655;3.5048,-.7385,6.1044;2.2196,5.4419,.7258;4.9072,-2.7986,9.4599;7.9663,-1.9069,3.0005;1.3542,3.343,8.5457;.4156,2.8438,9.4426;-.514,2.8472,9.247;7.0786,-.2322,4.4733;4.2806,4.6545,-.2046;5.2256,4.5654,-.1648;4.6026,-.806,10.8166;4.3527,.1089,10.8726;6.1443,-.1574,5.6861;4.8735,-3.447,8.197;3.9396,-2.856,5.7252;3.7322,-3.7956,5.453;3.6042,4.1499,-1.2903;4.0757,3.6882,-1.9737;.9199,7.0083,6.3287;.906,2.343,10.6321;.2862,2.0095,11.2701;2.2578,2.3017,10.9436;2.5615,1.9127,11.7554;8.1248,.5258,2.5539;5.3461,-3.4211,10.6073;5.6315,-4.3243,10.5345;2.5914,.4399,6.2081;2.228,.6504,5.3226;3.0908,1.2114,6.5481;1.8563,.2305,6.8214;8.4459,1.613,1.7577;8.2006,2.4901,2.0281;.1923,7.9344,3.6509;-.0936,8.4,4.4644;-.4772,7.2614,3.4073;.2863,8.5809,2.9204;3.6974,7.2833,4.1827;4.5992,7.7034,4.2844;2.2209,4.3192,-1.384;1.7528,4.0035,-2.148;9.1096,1.423,.5943;9.3577,2.1591,.0475;3.2684,6.4164,5.3708;3.5256,6.8346,6.242;.1958,4.3043,4.4407;.0276,4.8041,3.6147;-.5686,4.4062,5.0456;.3206,3.3557,4.2289;9.4169,.1245,.2234;9.8974,-.0187,-.5835;3.6068,4.9208,5.3425;4.5577,4.7133,5.1129;6.2212,1.0821,6.5524;5.6684,.9567,7.3518;5.8937,1.855,6.0467;7.1514,1.2368,6.8194;5.4032,-2.8337,11.8545;5.6928,-3.3239,12.615;4.4451,2.2355,2.8332;4.8612,1.7633,2.082;4.9106,3.0847,2.9834;3.5032,2.4112,2.6272;-1.107,6.9599,7.5394;-.5395,7.136,8.3187;-1.771,6.2759,7.7668;-1.5651,7.7851,7.2758;