* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/16/01/2007src1588.mol"
Structure: 1
InChI=1/C17H21NO4/c1-11(2)15-10-22-17(20)18(15)14-8-13(14)9-21-16(19)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-,14+,15+/m0/s1
AuxInfo=1/0/N:9,13,33,31,35,29,37,19,24,2,7,28,22,17,5,27,1,39,43,40,42,41/E:(1,2)(4,5)(6,7)/it:im/rA:43nCCHHCHCHCHHHCHHHCHCHHCHCHHCCCHCHCHCHCHNOOOO/rB:;s2;s2;s2;s5;s5;s7;s7;s9;s9;s9;s7;s13;s13;s13;;s17;s17;s19;s19;s17s19;s22;s22;s24;s24;;s27;d28;s29;s29;s31;d31;s33;s33;s35;s28d35;s37;s1s5s17;d1;s1s2;s24s27;d27;/rC:.5038,4.7448,.0646;-.5825,6.4666,1.1051;-1.5581,6.3088,1.1713;-.4093,7.4364,1.1954;.1657,5.6805,2.1853;-.4737,5.4057,2.9028;1.3702,6.3988,2.8165;1.8127,5.7521,3.4362;2.4093,6.8189,1.7768;1.9978,7.4333,1.1338;2.7394,6.0257,1.3053;3.1562,7.2672,2.2247;.9045,7.5944,3.6557;1.6602,7.9441,4.1733;.1954,7.3083,4.2671;.5611,8.2952,3.0636;1.1412,3.3404,1.9768;2.1273,3.3703,2.1416;.5596,2.0068,1.6254;1.1769,1.2352,1.5653;-.1954,1.988,.9837;.3076,2.5996,2.991;-.6121,2.9638,3.136;.9615,2.0089,4.1977;.3553,1.357,4.6316;1.795,1.5404,3.9401;1.7113,2.7462,6.3197;2.0318,3.9205,7.1747;1.8053,5.2247,6.7427;1.4286,5.3852,5.886;2.1332,6.2911,7.5725;1.9844,7.1834,7.2852;2.6795,6.0431,8.8256;2.9052,6.7722,9.3892;2.8994,4.7456,9.2635;3.2679,4.5881,10.1263;2.5785,3.6782,8.4374;2.7298,2.7867,8.7299;.5512,4.5088,1.3981;.8817,4.0367,-.8435;-.0651,5.9683,-.1573;1.2578,3.1003,5.1063;1.8401,1.6018,6.6663;