* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/18/01/resolve.mol" Structure: 1 InChI=1/2C9H10O3/c2*1-2-12-9(11)7-3-5-8(10)6-4-7/h2*3-6,10H,2H2,1H3 AuxInfo=1/0/N:25,16,13,40,9,23,11,32,42,5,4,1;36,29,34,43,21,19,15,33,12,7,2,3/E:2*(3,4)(5,6)/rA:44nOOOOOHOHCHCCCHCCHHCHCHCHCHHHCHHCCCHCHHHCHCCH/rB:;;;;s5;;s7;;s9;;d2s3;d9s11;s13;s12;s1;s16;s16;;s19;;s21;;s23;s16;s25;s25;s25;s3;s29;s29;s5s9d23;s7s19d21;d15s21;s34;s29;s36;s36;s36;d11s23;s40;s1d4s11;s15d19;s43;/rC:5.8924,-.3812,5.8049;7.1078,-.2717,8.9787;5.585,.4877,10.3524;4.3488,-1.1696,7.1462;3.7237,5.0919,7.6698;3.0682,5.1594,8.1908;8.0659,5.9576,8.8929;8.6704,6.0302,8.3141;4.9011,3.4881,6.4901;5.329,4.183,6.0039;4.6006,1.1648,6.9128;6.5834,.6652,9.5234;5.2035,2.1999,6.226;5.8445,2.001,5.5536;6.9481,2.0518,9.3545;6.2534,-1.7365,5.4957;5.4556,-2.2516,5.2159;6.653,-2.1771,6.2871;6.7529,4.3631,9.9237;6.348,5.0482,10.4426;8.2784,3.6835,8.2589;8.9384,3.9011,7.6112;3.3731,2.7909,8.1456;2.7289,2.9998,8.8119;7.233,-1.6664,4.3958;6.8399,-1.1842,3.6386;7.4746,-2.5738,4.1153;8.0354,-1.1948,4.7025;5.1734,-.8711,10.5564;5.9198,-1.4049,10.928;4.8909,-1.2777,9.6991;3.987,3.7971,7.4488;7.7088,4.6712,9.0069;7.9069,2.3947,8.436;8.3177,1.7151,7.9146;4.0482,-.8378,11.502;4.3329,-.4042,12.3334;3.7561,-1.7533,11.6944;3.3056,-.3339,11.1084;3.6849,1.4903,7.8846;3.2635,.7989,8.3814;4.914,-.2185,6.6549;6.3832,3.0711,10.0905;5.7157,2.8612,10.733;