* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/53/01/2009src0667a.mol"
Structure: 1
InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16-/m1/s1
AuxInfo=1/0/N:15,20,25,30,35,11,14,19,24,29,34,1,3,5,7,9,41,43,45,47,49,40,42,44,46,48,39/it:im/rA:49nCHCHCHCHCHCHHCCHHHCCHHHCCHHHCCHHHCCHHHOOOOOOOOOOO/rB:s1;s1;s3;s3;s5;s5;s7;s7;s9;s1;s11;s11;;s14;s15;s15;s15;;s19;s20;s20;s20;;s24;s25;s25;s25;;s29;s30;s30;s30;;s34;s35;s35;s35;s1s9;s11s14;d14;s3s19;d19;s5s24;d24;s7s29;d29;s9s34;d34;/rC:1.9019,5.5601,23.6695;1.4379,6.4444,23.7202;.8594,4.469,23.5594;.2714,4.4692,24.3684;.0281,4.7075,22.3025;-.456,5.5782,22.3895;.9315,4.7604,21.0896;1.355,3.8714,20.9156;1.9874,5.8329,21.3495;1.5619,6.735,21.421;2.8111,5.4146,24.8798;3.296,4.5517,24.8596;3.4682,6.1538,24.9229;2.4355,5.6253,27.2217;1.3816,5.7285,28.2731;1.7883,5.6065,29.1563;.7049,5.035,28.1264;.9595,6.6117,28.227;1.033,2.1279,24.0941;1.9296,.9405,23.9388;2.743,1.0738,24.4688;2.169,.8332,22.9945;1.4642,.1366,24.2511;-2.0537,3.749,22.8946;-2.9368,2.5594,22.7489;-2.8049,1.9592,23.5123;-2.7141,2.087,21.9196;-3.8725,2.8489,22.7188;.3958,4.5846,18.7654;-.3267,5.2723,17.6599;-.1625,4.7984,16.8179;-.0051,6.1949,17.5836;-1.288,5.2761,17.8505;3.4411,6.9894,19.876;4.4412,6.7712,18.7911;4.4986,7.575,18.2333;4.164,6.01,18.2396;5.3179,6.5854,19.1875;2.7458,5.5473,22.5091;1.8895,5.4695,25.9979;3.6258,5.6815,27.4014;1.5565,3.1991,23.445;.0073,2.166,24.7198;-.9372,3.6437,22.1117;-2.2514,4.6866,23.6214;.1569,5.1969,19.959;1.0932,3.6223,18.6485;2.8964,5.7961,20.2649;3.1501,8.0295,20.3894;