* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/10/22/01/92SRC134.mol" Structure: 1 InChI=1/C21H22O6/c1-24-18-8-14-12(6-17(18)22)5-16-13(10-27-21(16)23)4-11-7-19(25-2)20(26-3)9-15(11)14/h6-9,13,16,22H,4-5,10H2,1-3H3/t13-,16+/m1/s1 AuxInfo=1/0/N:14,27,31,18,15,9,23,12,26,22,19,10,17,11,20,16,8,13,24,25,21,1,5,3,6,4,7/it:im/rA:49nOHOOOOOCCCCCCCCCCCCCCCCCCCCHHHCHHHHHHHHHHHHHHHHHH/rB:s1;;;;;;s1;s8;d9;s10;d11;s3d8s12;s3;s10;s15;s16;s17;s18;s11d19;d5s7s16;s7s17;s19;s6d23;s4s24;s20d25;s6;s27;s27;s27;s4;s31;s31;s31;s9;s12;s14;s14;s14;s15;s15;s16;s17;s18;s18;s22;s22;s23;s26;/rC:2.2088,6.4507,4.705;2.2618,7.1867,4.3472;.8018,7.5233,2.7025;-3.366,2.0988,-.5518;-.6949,1.3511,7.8573;-5.547,1.8309,.814;-2.8122,2.0381,7.9813;1.1503,5.7605,4.1752;.8084,4.5406,4.7261;-.2933,3.8035,4.2645;-1.0566,4.3298,3.2095;-.6839,5.5679,2.6434;.3936,6.2816,3.1305;-.1707,8.3464,2.0886;-.6452,2.5319,5.0128;-1.636,2.8416,6.138;-3.1121,2.8137,5.7863;-3.5834,3.9051,4.8235;-3.4335,3.4725,3.3749;-2.2627,3.64,2.653;-1.5996,1.981,7.3792;-3.7307,2.8305,7.171;-4.5467,2.8603,2.7823;-4.4969,2.421,1.4659;-3.3192,2.5866,.7229;-2.233,3.2002,1.3012;-6.7795,1.7447,1.5158;-6.6475,1.2646,2.3366;-7.4241,1.2826,.975;-7.0996,2.6287,1.7101;-2.1978,2.2118,-1.3465;-1.9649,3.1381,-1.4431;-2.3617,1.8311,-2.2124;-1.4755,1.7428,-.9222;1.3407,4.1916,5.503;-1.2414,5.9494,1.924;-1.0279,8.4838,2.5991;-.4225,8.037,1.2358;.2573,9.2297,1.9366;.1596,2.1747,5.3799;-1.0545,1.8436,4.4085;-1.3872,3.7595,6.4526;-3.2955,1.9441,5.3242;-3.0474,4.7693,4.9667;-4.4465,4.065,5.02;-3.7955,3.7549,7.5947;-4.6271,2.4383,7.2216;-5.3496,2.6808,3.3078;-1.3489,3.3766,.8107;