* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/79/01/2009src0297.mol"
Structure: 1
InChI=1/C27H29N3O3/c1-17-22(32)18(2)26(5)27(23(17)25(3,4)16-21(31)33-27)29-24(28-19-12-8-6-9-13-19)30(26)20-14-10-7-11-15-20/h6-15,18H,16H2,1-5H3,(H,28,29)/t18-,26+,27+/m1/s1
AuxInfo=1/1/N:21,15,27,31,9,46,57,44,48,55,59,42,50,53,61,35,20,13,41,52,38,19,25,40,26,8,39,2,1,4,6,5,7/E:(3,4)(8,9)(10,11)(12,13)(14,15)/it:im/rA:62nNNHNOOOCCHHHCHCHHHCCCHHHCCCHHHCHHHCHHCCCCCHCHCHCHCHCCHCHCHCHCH/rB:;s2;;;;;s4;s8;s9;s9;s9;s8;s13;s13;s15;s15;s15;d5s13;s19;s20;s21;s21;s21;d20;s25;s26;s27;s27;s27;s26;s31;s31;s31;s26;s35;s35;d6s7s35;s1s7s8s25;d1s2s4;s2;s41;s42;d42;s44;s44;s46;d46;s48;d41s48;s50;s4;s52;s53;d53;s55;s55;s57;d57;s59;d52s59;s61;/rC:2.4228,6.4881,-3.2498;1.7134,4.5222,-4.3382;2.0093,3.7518,-4.6438;3.5739,4.5261,-2.8951;7.236,7.6245,-2.8446;.6058,6.7638,.0877;2.5519,6.4273,-.883;4.369,5.6012,-2.2086;4.9438,5.151,-.8638;4.2114,4.8975,-.264;5.4539,5.886,-.464;5.5341,4.381,-1.0022;5.4707,6.0498,-3.1895;5.0312,6.1817,-4.0781;6.5856,5.0316,-3.3952;7.1362,5.3001,-4.1602;6.1948,4.1496,-3.5676;7.1429,4.9903,-2.5901;6.0339,7.3937,-2.7746;5.1061,8.4443,-2.2881;5.7651,9.7997,-2.1529;6.0171,10.1304,-3.0403;6.5666,9.7191,-1.5946;5.1386,10.4275,-1.7361;3.8148,8.1413,-2.0288;2.7479,9.1336,-1.5468;3.0713,9.6444,-.1273;3.1525,8.8824,.4835;2.351,10.2338,.1797;3.9157,10.1415,-.1435;2.5661,10.3145,-2.5275;3.3599,10.8885,-2.4984;1.7769,10.835,-2.2692;2.4462,9.9687,-3.4366;1.3741,8.4336,-1.4717;.7201,9.0422,-1.0451;1.0561,8.2384,-2.3887;1.4446,7.1647,-.6949;3.3232,6.7154,-2.137;2.5251,5.2203,-3.4931;.4334,4.9442,-4.7589;-.4294,5.6257,-3.9205;-.1445,5.8704,-3.0479;-1.7138,5.9559,-4.3471;-2.3038,6.4266,-3.7702;-2.1218,5.594,-5.6136;-2.9987,5.811,-5.9075;-1.2677,4.9219,-6.4515;-1.5514,4.6848,-7.3266;.0123,4.5873,-6.0224;.5973,4.1121,-6.6008;3.3035,3.2482,-2.2634;2.1958,3.0788,-1.4453;1.6038,3.8074,-1.2997;1.9445,1.8661,-.8417;1.1775,1.7568,-.292;2.8072,.8167,-1.038;2.6459,-.0146,-.6073;3.9061,.9631,-1.8568;4.491,.2279,-1.9982;4.1644,2.1843,-2.4788;4.9217,2.2854,-3.0434;